N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C23H27N3O2 — CID 32687068

IUPACN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C23H27N3O2/c27-23(24-15-21(22-8-5-13-28-22)26-11-3-4-12-26)16-9-10-20-18(14-16)17-6-1-2-7-19(17)25-20/h5,8-10,13-14,21,25H,1-4,6-7,11-12,15H2,(H,24,27)/t21-/m0/s1
InChIKeyKFOFSMZEBOXHPU-NRFANRHFSA-N
MW377.49 g/mol
LogP4.21
Rot. Bonds5

About N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 32687068) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID32687068
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C23H27N3O2/c27-23(24-15-21(22-8-5-13-28-22)26-11-3-4-12-26)16-9-10-20-18(14-16)17-6-1-2-7-19(17)25-20/h5,8-10,13-14,21,25H,1-4,6-7,11-12,15H2,(H,24,27)/t21-/m0/s1
InChIKeyKFOFSMZEBOXHPU-NRFANRHFSA-N
XLogP4.21
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.21
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-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 43064788
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
N-[2-(furan-2-yl)-2-hydroxypropyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 111482489
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 34669940
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 4780259
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4807732
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542030
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 32687068) is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is KFOFSMZEBOXHPU-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-23(24-15-21(22-8-5-13-28-22)26-11-3-4-12-26)16-9-10-20-18(14-16)17-6-1-2-7-19(17)25-20/h5,8-10,13-14,21,25H,1-4,6-7,11-12,15H2,(H,24,27)/t21-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 32687068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).