ethane;9-methyl-3-[(4-methyl-3H-pyrrol-5-yl)methyl]-2,3-dihydro-1H-carbazol-4-one

C21H26N2O — CID 91529141

IUPACethane;9-methyl-3-[(4-methyl-3H-pyrrol-5-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
SMILESCC.CC1=C(CC2CCc3c(c4ccccc4n3C)C2=O)N=CC1
InChIInChI=1S/C19H20N2O.C2H6/c1-12-9-10-20-15(12)11-13-7-8-17-18(19(13)22)14-5-3-4-6-16(14)21(17)2;1-2/h3-6,10,13H,7-9,11H2,1-2H3;1-2H3
InChIKeyMMAOXZMZHAYLLG-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.09
Rot. Bonds2

About ethane;9-methyl-3-[(4-methyl-3H-pyrrol-5-yl)methyl]-2,3-dihydro-1H-carbazol-4-one

ethane;9-methyl-3-[(4-methyl-3H-pyrrol-5-yl)methyl]-2,3-dihydro-1H-carbazol-4-one (PubChem CID 91529141) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is ethane;9-methyl-3-[(4-methyl-3H-pyrrol-5-yl)methyl]-2,3-dihydro-1H-carbazol-4-one.

Molecular Properties

Compound Nameethane;9-methyl-3-[(4-methyl-3H-pyrrol-5-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
PubChem CID91529141
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Nameethane;9-methyl-3-[(4-methyl-3H-pyrrol-5-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
SMILESCC.CC1=C(CC2CCc3c(c4ccccc4n3C)C2=O)N=CC1
InChIInChI=1S/C19H20N2O.C2H6/c1-12-9-10-20-15(12)11-13-7-8-17-18(19(13)22)14-5-3-4-6-16(14)21(17)2;1-2/h3-6,10,13H,7-9,11H2,1-2H3;1-2H3
InChIKeyMMAOXZMZHAYLLG-UHFFFAOYSA-N
XLogP5.09
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;9-methyl-3-[(4-methyl-3H-pyrrol-5-yl)methyl]-2,3-dihydro-1H-carbazol-4-one with MolForge

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Related Compounds

3-[[bis(prop-2-enyl)amino]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one
CID 69364834
ethane;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
CID 142101652
but-2-enedioic acid;9-methyl-3-[(1-methylimidazol-2-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
CID 70386388
bis(9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one);hydrochloride
CID 160789760
(Z)-but-2-enedioic acid;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
CID 70085150
3-[[4,5-dideuterio-2-(trideuteriomethyl)imidazol-1-yl]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one
CID 76973792
calcium;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 69305514
3-[(2-methylimidazol-1-yl)methyl]-9-(trideuteriomethyl)-2,3-dihydro-1H-carbazol-4-one;hydrochloride
CID 71751335
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
CID 68985032
3-[[4,5-dideuterio-2-(trideuteriomethyl)imidazol-1-yl]methyl]-9-(trideuteriomethyl)-2,3-dihydro-1H-carbazol-4-one
CID 46216532
4-methyl-2-[(2-methylimidazol-1-yl)methyl]-2,3-dihydrocyclopenta[b]indol-1-one
CID 23043793
1-hexadecylpyridin-1-ium;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;chloride
CID 174797533

Frequently Asked Questions

What is the IUPAC name of ethane;9-methyl-3-[(4-methyl-3H-pyrrol-5-yl)methyl]-2,3-dihydro-1H-carbazol-4-one?
The IUPAC name of ethane;9-methyl-3-[(4-methyl-3H-pyrrol-5-yl)methyl]-2,3-dihydro-1H-carbazol-4-one (CID 91529141) is ethane;9-methyl-3-[(4-methyl-3H-pyrrol-5-yl)methyl]-2,3-dihydro-1H-carbazol-4-one.
What is the SMILES notation for ethane;9-methyl-3-[(4-methyl-3H-pyrrol-5-yl)methyl]-2,3-dihydro-1H-carbazol-4-one?
The canonical SMILES for ethane;9-methyl-3-[(4-methyl-3H-pyrrol-5-yl)methyl]-2,3-dihydro-1H-carbazol-4-one is CC.CC1=C(CC2CCc3c(c4ccccc4n3C)C2=O)N=CC1.
What is the InChIKey of ethane;9-methyl-3-[(4-methyl-3H-pyrrol-5-yl)methyl]-2,3-dihydro-1H-carbazol-4-one?
The InChIKey is MMAOXZMZHAYLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O.C2H6/c1-12-9-10-20-15(12)11-13-7-8-17-18(19(13)22)14-5-3-4-6-16(14)21(17)2;1-2/h3-6,10,13H,7-9,11H2,1-2H3;1-2H3.
What are the key properties of ethane;9-methyl-3-[(4-methyl-3H-pyrrol-5-yl)methyl]-2,3-dihydro-1H-carbazol-4-one?
ethane;9-methyl-3-[(4-methyl-3H-pyrrol-5-yl)methyl]-2,3-dihydro-1H-carbazol-4-one has a molecular weight of 322.45 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methyl-3-[(4-methyl-3H-pyrrol-5-yl)methyl]-2,3-dihydro-1H-carbazol-4-one is sourced from PubChem (CID 91529141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).