1,3-dimethyl-3,4-dihydro-[1,3,2]oxazaphosphinino[3,4-a]indole

C12H14NOP — CID 22894615

IUPAC1,3-dimethyl-3,4-dihydro-[1,3,2]oxazaphosphinino[3,4-a]indole
SMILESCC1Cc2cc3ccccc3n2P(C)O1
InChIInChI=1S/C12H14NOP/c1-9-7-11-8-10-5-3-4-6-12(10)13(11)15(2)14-9/h3-6,8-9H,7H2,1-2H3
InChIKeyTXIGAUBSDCTYNQ-UHFFFAOYSA-N
MW219.22 g/mol
LogP3.39
Rot. Bonds

About 1,3-dimethyl-3,4-dihydro-[1,3,2]oxazaphosphinino[3,4-a]indole

1,3-dimethyl-3,4-dihydro-[1,3,2]oxazaphosphinino[3,4-a]indole (PubChem CID 22894615) has the molecular formula C12H14NOP and a molecular weight of 219.22 g/mol. Its IUPAC name is 1,3-dimethyl-3,4-dihydro-[1,3,2]oxazaphosphinino[3,4-a]indole.

Molecular Properties

Compound Name1,3-dimethyl-3,4-dihydro-[1,3,2]oxazaphosphinino[3,4-a]indole
PubChem CID22894615
Molecular FormulaC12H14NOP
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name1,3-dimethyl-3,4-dihydro-[1,3,2]oxazaphosphinino[3,4-a]indole
SMILESCC1Cc2cc3ccccc3n2P(C)O1
InChIInChI=1S/C12H14NOP/c1-9-7-11-8-10-5-3-4-6-12(10)13(11)15(2)14-9/h3-6,8-9H,7H2,1-2H3
InChIKeyTXIGAUBSDCTYNQ-UHFFFAOYSA-N
XLogP3.39
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one
CID 12820627
6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol
CID 115017308
anthracene;2-methyloxirane
CID 174666283
N,N-dimethyl-1-(6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine
CID 58315284
9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]indole
CID 15287247
[(2R)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanol
CID 10583749
8-chloro-3-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]indol-1-one
CID 71349209
ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-8-carboxylate
CID 15063389
methyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate
CID 134303472
tert-butyl N-(6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)carbamate
CID 15063418
2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ylmethanol
CID 105442634
ethyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate
CID 67807991

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3,4-dihydro-[1,3,2]oxazaphosphinino[3,4-a]indole?
The IUPAC name of 1,3-dimethyl-3,4-dihydro-[1,3,2]oxazaphosphinino[3,4-a]indole (CID 22894615) is 1,3-dimethyl-3,4-dihydro-[1,3,2]oxazaphosphinino[3,4-a]indole.
What is the SMILES notation for 1,3-dimethyl-3,4-dihydro-[1,3,2]oxazaphosphinino[3,4-a]indole?
The canonical SMILES for 1,3-dimethyl-3,4-dihydro-[1,3,2]oxazaphosphinino[3,4-a]indole is CC1Cc2cc3ccccc3n2P(C)O1.
What is the InChIKey of 1,3-dimethyl-3,4-dihydro-[1,3,2]oxazaphosphinino[3,4-a]indole?
The InChIKey is TXIGAUBSDCTYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14NOP/c1-9-7-11-8-10-5-3-4-6-12(10)13(11)15(2)14-9/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 1,3-dimethyl-3,4-dihydro-[1,3,2]oxazaphosphinino[3,4-a]indole?
1,3-dimethyl-3,4-dihydro-[1,3,2]oxazaphosphinino[3,4-a]indole has a molecular weight of 219.22 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3,4-dihydro-[1,3,2]oxazaphosphinino[3,4-a]indole is sourced from PubChem (CID 22894615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).