3-[[bis(prop-2-enyl)amino]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one

C20H24N2O — CID 69364834

IUPAC3-[[bis(prop-2-enyl)amino]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one
SMILESC=CCN(CC=C)CC1CCc2c(c3ccccc3n2C)C1=O
InChIInChI=1S/C20H24N2O/c1-4-12-22(13-5-2)14-15-10-11-18-19(20(15)23)16-8-6-7-9-17(16)21(18)3/h4-9,15H,1-2,10-14H2,3H3
InChIKeyMSGKTSWQPLBVJX-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.60
Rot. Bonds6

About 3-[[bis(prop-2-enyl)amino]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one

3-[[bis(prop-2-enyl)amino]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one (PubChem CID 69364834) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-[[bis(prop-2-enyl)amino]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one.

Molecular Properties

Compound Name3-[[bis(prop-2-enyl)amino]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one
PubChem CID69364834
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name3-[[bis(prop-2-enyl)amino]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one
SMILESC=CCN(CC=C)CC1CCc2c(c3ccccc3n2C)C1=O
InChIInChI=1S/C20H24N2O/c1-4-12-22(13-5-2)14-15-10-11-18-19(20(15)23)16-8-6-7-9-17(16)21(18)3/h4-9,15H,1-2,10-14H2,3H3
InChIKeyMSGKTSWQPLBVJX-UHFFFAOYSA-N
XLogP3.60
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;9-methyl-3-[(4-methyl-3H-pyrrol-5-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
CID 91529141
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
but-2-enedioic acid;3-[(5-methyl-1H-imidazol-4-yl)methyl]-9-prop-2-enyl-2,3-dihydro-1H-carbazol-4-one
CID 67885839
2-[(4-methoxyphenyl)methyl]-10-methyl-4-prop-2-enyl-3,4-dihydroazepino[3,4-b]indole-1,5-dione
CID 101356806
(3S)-2,9-dimethyl-3-(2-methylpropyl)-1,3-dihydropyrido[3,4-b]indol-4-one
CID 101477753
3-[(2-methylimidazol-1-yl)methyl]-9-(trideuteriomethyl)-2,3-dihydro-1H-carbazol-4-one;hydrochloride
CID 71751335
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-[[4,5-dideuterio-2-(trideuteriomethyl)imidazol-1-yl]methyl]-9-(trideuteriomethyl)-2,3-dihydro-1H-carbazol-4-one
CID 46216532

Frequently Asked Questions

What is the IUPAC name of 3-[[bis(prop-2-enyl)amino]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one?
The IUPAC name of 3-[[bis(prop-2-enyl)amino]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one (CID 69364834) is 3-[[bis(prop-2-enyl)amino]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one.
What is the SMILES notation for 3-[[bis(prop-2-enyl)amino]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one?
The canonical SMILES for 3-[[bis(prop-2-enyl)amino]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one is C=CCN(CC=C)CC1CCc2c(c3ccccc3n2C)C1=O.
What is the InChIKey of 3-[[bis(prop-2-enyl)amino]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one?
The InChIKey is MSGKTSWQPLBVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-4-12-22(13-5-2)14-15-10-11-18-19(20(15)23)16-8-6-7-9-17(16)21(18)3/h4-9,15H,1-2,10-14H2,3H3.
What are the key properties of 3-[[bis(prop-2-enyl)amino]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one?
3-[[bis(prop-2-enyl)amino]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one has a molecular weight of 308.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[bis(prop-2-enyl)amino]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one is sourced from PubChem (CID 69364834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).