3-(diethylaminomethyl)-1,2,3,9-tetrahydrocarbazol-4-one

C17H22N2O — CID 21234649

IUPAC3-(diethylaminomethyl)-1,2,3,9-tetrahydrocarbazol-4-one
SMILESCCN(CC)CC1CCc2[nH]c3ccccc3c2C1=O
InChIInChI=1S/C17H22N2O/c1-3-19(4-2)11-12-9-10-15-16(17(12)20)13-7-5-6-8-14(13)18-15/h5-8,12,18H,3-4,9-11H2,1-2H3
InChIKeyJVPFUYMHTYKDPV-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.25
Rot. Bonds4

About 3-(diethylaminomethyl)-1,2,3,9-tetrahydrocarbazol-4-one

3-(diethylaminomethyl)-1,2,3,9-tetrahydrocarbazol-4-one (PubChem CID 21234649) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-1,2,3,9-tetrahydrocarbazol-4-one.

Molecular Properties

Compound Name3-(diethylaminomethyl)-1,2,3,9-tetrahydrocarbazol-4-one
PubChem CID21234649
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(diethylaminomethyl)-1,2,3,9-tetrahydrocarbazol-4-one
SMILESCCN(CC)CC1CCc2[nH]c3ccccc3c2C1=O
InChIInChI=1S/C17H22N2O/c1-3-19(4-2)11-12-9-10-15-16(17(12)20)13-7-5-6-8-14(13)18-15/h5-8,12,18H,3-4,9-11H2,1-2H3
InChIKeyJVPFUYMHTYKDPV-UHFFFAOYSA-N
XLogP3.25
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (3R)-4-oxo-1,2,3,9-tetrahydrocarbazole-3-carboxylate
CID 139081220
3-[(2,4-dimethylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one
CID 130220827
1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173177063
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589
3-[(4-butylpiperazin-1-yl)methyl]-6-fluoro-1,2,3,9-tetrahydrocarbazol-4-one
CID 150024970
N,N-dipropyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203605
3-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 10511740
2-methyl-1,2,3,9-tetrahydrocarbazol-4-one
CID 4165022
N-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203560
3-propyl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335334
1-pentan-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173176510
2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one
CID 62614565

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-1,2,3,9-tetrahydrocarbazol-4-one?
The IUPAC name of 3-(diethylaminomethyl)-1,2,3,9-tetrahydrocarbazol-4-one (CID 21234649) is 3-(diethylaminomethyl)-1,2,3,9-tetrahydrocarbazol-4-one.
What is the SMILES notation for 3-(diethylaminomethyl)-1,2,3,9-tetrahydrocarbazol-4-one?
The canonical SMILES for 3-(diethylaminomethyl)-1,2,3,9-tetrahydrocarbazol-4-one is CCN(CC)CC1CCc2[nH]c3ccccc3c2C1=O.
What is the InChIKey of 3-(diethylaminomethyl)-1,2,3,9-tetrahydrocarbazol-4-one?
The InChIKey is JVPFUYMHTYKDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-19(4-2)11-12-9-10-15-16(17(12)20)13-7-5-6-8-14(13)18-15/h5-8,12,18H,3-4,9-11H2,1-2H3.
What are the key properties of 3-(diethylaminomethyl)-1,2,3,9-tetrahydrocarbazol-4-one?
3-(diethylaminomethyl)-1,2,3,9-tetrahydrocarbazol-4-one has a molecular weight of 270.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-1,2,3,9-tetrahydrocarbazol-4-one is sourced from PubChem (CID 21234649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).