9-[2-[5-ethyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-3,4-dihydrocarbazole

C23H26N2 — CID 71125181

IUPAC9-[2-[5-ethyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-3,4-dihydrocarbazole
SMILESC/C=C\c1c(CCn2c3c(c4ccccc42)CCC=C3)c[nH]c1CC
InChIInChI=1S/C23H26N2/c1-3-9-18-17(16-24-21(18)4-2)14-15-25-22-12-7-5-10-19(22)20-11-6-8-13-23(20)25/h3,5,7-10,12-13,16,24H,4,6,11,14-15H2,1-2H3/b9-3-
InChIKeyHAXJZLHWNGCFCL-OQFOIZHKSA-N
MW330.48 g/mol
LogP5.77
Rot. Bonds5

About 9-[2-[5-ethyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-3,4-dihydrocarbazole

9-[2-[5-ethyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-3,4-dihydrocarbazole (PubChem CID 71125181) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 9-[2-[5-ethyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-[2-[5-ethyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-3,4-dihydrocarbazole
PubChem CID71125181
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name9-[2-[5-ethyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-3,4-dihydrocarbazole
SMILESC/C=C\c1c(CCn2c3c(c4ccccc42)CCC=C3)c[nH]c1CC
InChIInChI=1S/C23H26N2/c1-3-9-18-17(16-24-21(18)4-2)14-15-25-22-12-7-5-10-19(22)20-11-6-8-13-23(20)25/h3,5,7-10,12-13,16,24H,4,6,11,14-15H2,1-2H3/b9-3-
InChIKeyHAXJZLHWNGCFCL-OQFOIZHKSA-N
XLogP5.77
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[5-ethyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-3,4-dihydrocarbazole?
The IUPAC name of 9-[2-[5-ethyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-3,4-dihydrocarbazole (CID 71125181) is 9-[2-[5-ethyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-3,4-dihydrocarbazole.
What is the SMILES notation for 9-[2-[5-ethyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-3,4-dihydrocarbazole?
The canonical SMILES for 9-[2-[5-ethyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-3,4-dihydrocarbazole is C/C=C\c1c(CCn2c3c(c4ccccc42)CCC=C3)c[nH]c1CC.
What is the InChIKey of 9-[2-[5-ethyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-3,4-dihydrocarbazole?
The InChIKey is HAXJZLHWNGCFCL-OQFOIZHKSA-N. The full InChI is InChI=1S/C23H26N2/c1-3-9-18-17(16-24-21(18)4-2)14-15-25-22-12-7-5-10-19(22)20-11-6-8-13-23(20)25/h3,5,7-10,12-13,16,24H,4,6,11,14-15H2,1-2H3/b9-3-.
What are the key properties of 9-[2-[5-ethyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-3,4-dihydrocarbazole?
9-[2-[5-ethyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-3,4-dihydrocarbazole has a molecular weight of 330.48 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[5-ethyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-3,4-dihydrocarbazole is sourced from PubChem (CID 71125181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).