2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone

C19H25N3O2 — CID 91352168

IUPAC2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCOc1ccc2[nH]c3c(c2c1)CC(NCC(=O)N1CCCC1)CC3
InChIInChI=1S/C19H25N3O2/c1-24-14-5-7-18-16(11-14)15-10-13(4-6-17(15)21-18)20-12-19(23)22-8-2-3-9-22/h5,7,11,13,20-21H,2-4,6,8-10,12H2,1H3
InChIKeyFAIYUDHLTFFQEQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.25
Rot. Bonds4

About 2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone

2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 91352168) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID91352168
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCOc1ccc2[nH]c3c(c2c1)CC(NCC(=O)N1CCCC1)CC3
InChIInChI=1S/C19H25N3O2/c1-24-14-5-7-18-16(11-14)15-10-13(4-6-17(15)21-18)20-12-19(23)22-8-2-3-9-22/h5,7,11,13,20-21H,2-4,6,8-10,12H2,1H3
InChIKeyFAIYUDHLTFFQEQ-UHFFFAOYSA-N
XLogP2.25
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203935
(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 113203936
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097076
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propane-1-sulfonamide
CID 113097087
N-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203990
1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea
CID 113097077
6-methoxy-N-(2-morpholin-4-ylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203943
N-[2-(dimethylamino)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203942
3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097069
N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)cyclohexanecarboxamide
CID 84580174
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097093
1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine
CID 83843557

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone (CID 91352168) is 2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone is COc1ccc2[nH]c3c(c2c1)CC(NCC(=O)N1CCCC1)CC3.
What is the InChIKey of 2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is FAIYUDHLTFFQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-24-14-5-7-18-16(11-14)15-10-13(4-6-17(15)21-18)20-12-19(23)22-8-2-3-9-22/h5,7,11,13,20-21H,2-4,6,8-10,12H2,1H3.
What are the key properties of 2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 327.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 91352168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).