1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide

C15H24N2O2 — CID 110007410

IUPAC1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1cccn1C1CC1
InChIInChI=1S/C15H24N2O2/c1-11(18)9-15(2,3)10-16-14(19)13-5-4-8-17(13)12-6-7-12/h4-5,8,11-12,18H,6-7,9-10H2,1-3H3,(H,16,19)
InChIKeyIBBVGGUOIHBKEW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.35
Rot. Bonds6

About 1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide

1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide (PubChem CID 110007410) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide
PubChem CID110007410
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1cccn1C1CC1
InChIInChI=1S/C15H24N2O2/c1-11(18)9-15(2,3)10-16-14(19)13-5-4-8-17(13)12-6-7-12/h4-5,8,11-12,18H,6-7,9-10H2,1-3H3,(H,16,19)
InChIKeyIBBVGGUOIHBKEW-UHFFFAOYSA-N
XLogP2.35
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 115303317
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide
CID 114609625
1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide
CID 106120457
1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide
CID 114610660
N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopropylpyrrole-2-carboxamide
CID 115309753
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739845
1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
CID 81494193
1-cyclobutyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
CID 107155325

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide (CID 110007410) is 1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide is CC(O)CC(C)(C)CNC(=O)c1cccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide?
The InChIKey is IBBVGGUOIHBKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(18)9-15(2,3)10-16-14(19)13-5-4-8-17(13)12-6-7-12/h4-5,8,11-12,18H,6-7,9-10H2,1-3H3,(H,16,19).
What are the key properties of 1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide?
1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide is sourced from PubChem (CID 110007410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).