1-[6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]propan-1-one

C16H20N2O — CID 18971903

IUPAC1-[6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]propan-1-one
SMILESCCC(=O)c1ccc2[nH]c3c(c2c1)CC(NC)CC3
InChIInChI=1S/C16H20N2O/c1-3-16(19)10-4-6-14-12(8-10)13-9-11(17-2)5-7-15(13)18-14/h4,6,8,11,17-18H,3,5,7,9H2,1-2H3
InChIKeyBASVZDYNVWIHTF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.84
Rot. Bonds3

About 1-[6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]propan-1-one

1-[6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]propan-1-one (PubChem CID 18971903) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]propan-1-one
PubChem CID18971903
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]propan-1-one
SMILESCCC(=O)c1ccc2[nH]c3c(c2c1)CC(NC)CC3
InChIInChI=1S/C16H20N2O/c1-3-16(19)10-4-6-14-12(8-10)13-9-11(17-2)5-7-15(13)18-14/h4,6,8,11,17-18H,3,5,7,9H2,1-2H3
InChIKeyBASVZDYNVWIHTF-UHFFFAOYSA-N
XLogP2.84
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(6R)-6-(trideuteriomethylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrochloride
CID 118988631
butanedioic acid;(6S)-6-(trideuteriomethylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 163322585
N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide
CID 22611338
N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-iodobenzamide
CID 22611388
6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile;hydrochloride
CID 68655128
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175
6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18104801
6-amino-N-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 87377429
N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 17433866
(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41090432
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 65332860

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]propan-1-one?
The IUPAC name of 1-[6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]propan-1-one (CID 18971903) is 1-[6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]propan-1-one.
What is the SMILES notation for 1-[6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]propan-1-one?
The canonical SMILES for 1-[6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]propan-1-one is CCC(=O)c1ccc2[nH]c3c(c2c1)CC(NC)CC3.
What is the InChIKey of 1-[6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]propan-1-one?
The InChIKey is BASVZDYNVWIHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-16(19)10-4-6-14-12(8-10)13-9-11(17-2)5-7-15(13)18-14/h4,6,8,11,17-18H,3,5,7,9H2,1-2H3.
What are the key properties of 1-[6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]propan-1-one?
1-[6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]propan-1-one has a molecular weight of 256.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]propan-1-one is sourced from PubChem (CID 18971903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).