6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C24H27N3 — CID 168953883

IUPAC6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESC[C@@H](NC1CCCc2c1[nH]c1ccc(C3=CCNC3)cc21)c1ccccc1
InChIInChI=1S/C24H27N3/c1-16(17-6-3-2-4-7-17)26-23-9-5-8-20-21-14-18(19-12-13-25-15-19)10-11-22(21)27-24(20)23/h2-4,6-7,10-12,14,16,23,25-27H,5,8-9,13,15H2,1H3/t16-,23?/m1/s1
InChIKeyLLCYYESAALQTRK-ADRQNKRLSA-N
MW357.50 g/mol
LogP4.88
Rot. Bonds4

About 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 168953883) has the molecular formula C24H27N3 and a molecular weight of 357.50 g/mol. Its IUPAC name is 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID168953883
Molecular FormulaC24H27N3
Molecular Weight357.50 g/mol
Exact Mass357.22
IUPAC Name6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESC[C@@H](NC1CCCc2c1[nH]c1ccc(C3=CCNC3)cc21)c1ccccc1
InChIInChI=1S/C24H27N3/c1-16(17-6-3-2-4-7-17)26-23-9-5-8-20-21-14-18(19-12-13-25-15-19)10-11-22(21)27-24(20)23/h2-4,6-7,10-12,14,16,23,25-27H,5,8-9,13,15H2,1H3/t16-,23?/m1/s1
InChIKeyLLCYYESAALQTRK-ADRQNKRLSA-N
XLogP4.88
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 168953883) is 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is C[C@@H](NC1CCCc2c1[nH]c1ccc(C3=CCNC3)cc21)c1ccccc1.
What is the InChIKey of 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is LLCYYESAALQTRK-ADRQNKRLSA-N. The full InChI is InChI=1S/C24H27N3/c1-16(17-6-3-2-4-7-17)26-23-9-5-8-20-21-14-18(19-12-13-25-15-19)10-11-22(21)27-24(20)23/h2-4,6-7,10-12,14,16,23,25-27H,5,8-9,13,15H2,1H3/t16-,23?/m1/s1.
What are the key properties of 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 357.50 g/mol, XLogP of 4.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dihydro-1H-pyrrol-3-yl)-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 168953883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).