[8-(cyclohexylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-pyrrolidin-1-ylmethanone

C23H31N3O — CID 59014623

IUPAC[8-(cyclohexylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1)N1CCCC1
InChIInChI=1S/C23H31N3O/c27-23(26-13-4-5-14-26)16-11-12-20-19(15-16)18-9-6-10-21(22(18)25-20)24-17-7-2-1-3-8-17/h11-12,15,17,21,24-25H,1-10,13-14H2
InChIKeyOVMMADAPLTXAAC-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.70
Rot. Bonds3

About [8-(cyclohexylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-pyrrolidin-1-ylmethanone

[8-(cyclohexylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 59014623) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is [8-(cyclohexylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[8-(cyclohexylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID59014623
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name[8-(cyclohexylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1)N1CCCC1
InChIInChI=1S/C23H31N3O/c27-23(26-13-4-5-14-26)16-11-12-20-19(15-16)18-9-6-10-21(22(18)25-20)24-17-7-2-1-3-8-17/h11-12,15,17,21,24-25H,1-10,13-14H2
InChIKeyOVMMADAPLTXAAC-UHFFFAOYSA-N
XLogP4.70
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.70
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

8-(cyclohexylamino)-N-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 59014682
(1S)-N-cyclohexyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 753921
8-(cyclohexylamino)-N-[2-(4-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 11339489
N-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 59014607
N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333592
N-[(1S)-6-cyclohexyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide
CID 755453
(1S)-N-(4-methylcyclohexyl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 2261168
5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 166231016
methyl 8-anilino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 159619714
(2-cyclohexyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone
CID 173179128
8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 142652454
N-cycloheptyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051684

Frequently Asked Questions

What is the IUPAC name of [8-(cyclohexylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [8-(cyclohexylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-pyrrolidin-1-ylmethanone (CID 59014623) is [8-(cyclohexylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [8-(cyclohexylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [8-(cyclohexylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1)N1CCCC1.
What is the InChIKey of [8-(cyclohexylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OVMMADAPLTXAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c27-23(26-13-4-5-14-26)16-11-12-20-19(15-16)18-9-6-10-21(22(18)25-20)24-17-7-2-1-3-8-17/h11-12,15,17,21,24-25H,1-10,13-14H2.
What are the key properties of [8-(cyclohexylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-pyrrolidin-1-ylmethanone?
[8-(cyclohexylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 365.52 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(cyclohexylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 59014623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).