2-hydroxy-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]cyclopentane-1-carboxamide

C15H24N2O2 — CID 110014787

IUPAC2-hydroxy-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]cyclopentane-1-carboxamide
SMILESCC(CCc1cccn1C)NC(=O)C1CCCC1O
InChIInChI=1S/C15H24N2O2/c1-11(8-9-12-5-4-10-17(12)2)16-15(19)13-6-3-7-14(13)18/h4-5,10-11,13-14,18H,3,6-9H2,1-2H3,(H,16,19)
InChIKeyKPXDXDDPGPBREN-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.62
Rot. Bonds5

About 2-hydroxy-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]cyclopentane-1-carboxamide

2-hydroxy-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]cyclopentane-1-carboxamide (PubChem CID 110014787) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-hydroxy-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]cyclopentane-1-carboxamide
PubChem CID110014787
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-hydroxy-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]cyclopentane-1-carboxamide
SMILESCC(CCc1cccn1C)NC(=O)C1CCCC1O
InChIInChI=1S/C15H24N2O2/c1-11(8-9-12-5-4-10-17(12)2)16-15(19)13-6-3-7-14(13)18/h4-5,10-11,13-14,18H,3,6-9H2,1-2H3,(H,16,19)
InChIKeyKPXDXDDPGPBREN-UHFFFAOYSA-N
XLogP1.62
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 2-hydroxy-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]cyclopentane-1-carboxamide (CID 110014787) is 2-hydroxy-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-hydroxy-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]cyclopentane-1-carboxamide is CC(CCc1cccn1C)NC(=O)C1CCCC1O.
What is the InChIKey of 2-hydroxy-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]cyclopentane-1-carboxamide?
The InChIKey is KPXDXDDPGPBREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(8-9-12-5-4-10-17(12)2)16-15(19)13-6-3-7-14(13)18/h4-5,10-11,13-14,18H,3,6-9H2,1-2H3,(H,16,19).
What are the key properties of 2-hydroxy-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]cyclopentane-1-carboxamide?
2-hydroxy-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]cyclopentane-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 110014787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).