1-[6-(2-methylidene-1,3-dihydrophosphole-5-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone

C18H17N2O2P — CID 142216813

IUPAC1-[6-(2-methylidene-1,3-dihydrophosphole-5-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone
SMILESC=C1CC=C(C(=O)N2CCc3c2ccc2[nH]c(C(C)=O)cc32)P1
InChIInChI=1S/C18H17N2O2P/c1-10-3-6-17(23-10)18(22)20-8-7-12-13-9-15(11(2)21)19-14(13)4-5-16(12)20/h4-6,9,19,23H,1,3,7-8H2,2H3
InChIKeyVMKBWZUENVFXQG-UHFFFAOYSA-N
MW324.32 g/mol
LogP3.74
Rot. Bonds2

About 1-[6-(2-methylidene-1,3-dihydrophosphole-5-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone

1-[6-(2-methylidene-1,3-dihydrophosphole-5-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone (PubChem CID 142216813) has the molecular formula C18H17N2O2P and a molecular weight of 324.32 g/mol. Its IUPAC name is 1-[6-(2-methylidene-1,3-dihydrophosphole-5-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-(2-methylidene-1,3-dihydrophosphole-5-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone
PubChem CID142216813
Molecular FormulaC18H17N2O2P
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name1-[6-(2-methylidene-1,3-dihydrophosphole-5-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone
SMILESC=C1CC=C(C(=O)N2CCc3c2ccc2[nH]c(C(C)=O)cc32)P1
InChIInChI=1S/C18H17N2O2P/c1-10-3-6-17(23-10)18(22)20-8-7-12-13-9-15(11(2)21)19-14(13)4-5-16(12)20/h4-6,9,19,23H,1,3,7-8H2,2H3
InChIKeyVMKBWZUENVFXQG-UHFFFAOYSA-N
XLogP3.74
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone
CID 54141257
2-[2-(2-acetyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;[bis[bis(phosphanyl)phosphanyl]-deuteriomethyl]-bis[bis(phosphanyl)phosphanyl]phosphane
CID 90829844
1-[6-[2-(methyldiazenyl)-1,3-benzothiazole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone
CID 159555973
2-methyl-1-[6-(2-methylpropanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one
CID 20681379
methyl 6-[6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 10483430
(2,3,5,6-tetrafluorophenyl) 6-(6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 15480265
7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone
CID 175705264
[[6-[6-[6-(2-aminoacetyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]amino]methoxy-methylphosphinic acid
CID 58922260
2-formyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;1-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one
CID 145169161
(2,3,5,6-tetrafluorophenyl) 6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 15480264
2-[2-[(1R,13R)-2-oxo-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3,5,7,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide
CID 10603752
1-(7-chloro-2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone
CID 141146228

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylidene-1,3-dihydrophosphole-5-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone?
The IUPAC name of 1-[6-(2-methylidene-1,3-dihydrophosphole-5-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone (CID 142216813) is 1-[6-(2-methylidene-1,3-dihydrophosphole-5-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone.
What is the SMILES notation for 1-[6-(2-methylidene-1,3-dihydrophosphole-5-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone?
The canonical SMILES for 1-[6-(2-methylidene-1,3-dihydrophosphole-5-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone is C=C1CC=C(C(=O)N2CCc3c2ccc2[nH]c(C(C)=O)cc32)P1.
What is the InChIKey of 1-[6-(2-methylidene-1,3-dihydrophosphole-5-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone?
The InChIKey is VMKBWZUENVFXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2O2P/c1-10-3-6-17(23-10)18(22)20-8-7-12-13-9-15(11(2)21)19-14(13)4-5-16(12)20/h4-6,9,19,23H,1,3,7-8H2,2H3.
What are the key properties of 1-[6-(2-methylidene-1,3-dihydrophosphole-5-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone?
1-[6-(2-methylidene-1,3-dihydrophosphole-5-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone has a molecular weight of 324.32 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylidene-1,3-dihydrophosphole-5-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone is sourced from PubChem (CID 142216813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).