1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide

C16H26N2O2 — CID 110008236

IUPAC1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cccn1C1CCCC1
InChIInChI=1S/C16H26N2O2/c1-12(2)10-13(11-19)17-16(20)15-8-5-9-18(15)14-6-3-4-7-14/h5,8-9,12-14,19H,3-4,6-7,10-11H2,1-2H3,(H,17,20)
InChIKeyGECUGYNSWVOOFO-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.74
Rot. Bonds6

About 1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide

1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide (PubChem CID 110008236) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide
PubChem CID110008236
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cccn1C1CCCC1
InChIInChI=1S/C16H26N2O2/c1-12(2)10-13(11-19)17-16(20)15-8-5-9-18(15)14-6-3-4-7-14/h5,8-9,12-14,19H,3-4,6-7,10-11H2,1-2H3,(H,17,20)
InChIKeyGECUGYNSWVOOFO-UHFFFAOYSA-N
XLogP2.74
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrole-2-carboxamide
CID 107861229
1-cyclobutyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
CID 107155325
methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 114610705
N-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609506
1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide
CID 106120457
1-cyclopropyl-N-hex-5-yn-3-ylpyrrole-2-carboxamide
CID 115970025
1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide
CID 114610660
1-cyclobutyl-N-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2-carboxamide
CID 114609590
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide
CID 114610635
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide
CID 110011756

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide (CID 110008236) is 1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide is CC(C)CC(CO)NC(=O)c1cccn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide?
The InChIKey is GECUGYNSWVOOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)10-13(11-19)17-16(20)15-8-5-9-18(15)14-6-3-4-7-14/h5,8-9,12-14,19H,3-4,6-7,10-11H2,1-2H3,(H,17,20).
What are the key properties of 1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide?
1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 110008236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).