1-[2-(1-phenylpent-1-enyl)pyrrol-2-yl]ethanone

C17H19NO — CID 57066501

IUPAC1-[2-(1-phenylpent-1-enyl)pyrrol-2-yl]ethanone
SMILESCCCC=C(c1ccccc1)C1(C(C)=O)C=CC=N1
InChIInChI=1S/C17H19NO/c1-3-4-11-16(15-9-6-5-7-10-15)17(14(2)19)12-8-13-18-17/h5-13H,3-4H2,1-2H3
InChIKeyPOKNUEOJPYFQKP-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.84
Rot. Bonds5

About 1-[2-(1-phenylpent-1-enyl)pyrrol-2-yl]ethanone

1-[2-(1-phenylpent-1-enyl)pyrrol-2-yl]ethanone (PubChem CID 57066501) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[2-(1-phenylpent-1-enyl)pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-phenylpent-1-enyl)pyrrol-2-yl]ethanone
PubChem CID57066501
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-[2-(1-phenylpent-1-enyl)pyrrol-2-yl]ethanone
SMILESCCCC=C(c1ccccc1)C1(C(C)=O)C=CC=N1
InChIInChI=1S/C17H19NO/c1-3-4-11-16(15-9-6-5-7-10-15)17(14(2)19)12-8-13-18-17/h5-13H,3-4H2,1-2H3
InChIKeyPOKNUEOJPYFQKP-UHFFFAOYSA-N
XLogP3.84
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylhex-2-enal
CID 3023641
(Z)-1-phenylpent-1-en-1-amine
CID 22065568
hexane;1-phenylethanone
CID 160797049
1-(2-phenylpyrrol-2-yl)propan-1-one
CID 123397913
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
pentan-2-one;1-phenylethanone
CID 142883835
decanal;1-phenylethanone
CID 161488656
4-(1-phenylpent-1-enyl)phenol
CID 57219514
(Z)-2-phenylhex-2-enenitrile
CID 5463415
3-(2-acetylpyrrol-2-yl)propanoic acid
CID 57198395
2-methyl-1-phenylpent-2-en-1-one
CID 130638834
3-phenylhex-3-en-2-one
CID 130637770

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-phenylpent-1-enyl)pyrrol-2-yl]ethanone?
The IUPAC name of 1-[2-(1-phenylpent-1-enyl)pyrrol-2-yl]ethanone (CID 57066501) is 1-[2-(1-phenylpent-1-enyl)pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[2-(1-phenylpent-1-enyl)pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[2-(1-phenylpent-1-enyl)pyrrol-2-yl]ethanone is CCCC=C(c1ccccc1)C1(C(C)=O)C=CC=N1.
What is the InChIKey of 1-[2-(1-phenylpent-1-enyl)pyrrol-2-yl]ethanone?
The InChIKey is POKNUEOJPYFQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-4-11-16(15-9-6-5-7-10-15)17(14(2)19)12-8-13-18-17/h5-13H,3-4H2,1-2H3.
What are the key properties of 1-[2-(1-phenylpent-1-enyl)pyrrol-2-yl]ethanone?
1-[2-(1-phenylpent-1-enyl)pyrrol-2-yl]ethanone has a molecular weight of 253.34 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-phenylpent-1-enyl)pyrrol-2-yl]ethanone is sourced from PubChem (CID 57066501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).