1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide

C16H24N2O2 — CID 114609767

IUPAC1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide
SMILESO=C(NC1CCCCCC1O)c1cccn1C1CCC1
InChIInChI=1S/C16H24N2O2/c19-15-10-3-1-2-8-13(15)17-16(20)14-9-5-11-18(14)12-6-4-7-12/h5,9,11-13,15,19H,1-4,6-8,10H2,(H,17,20)
InChIKeyXXZTVRBDBHLESQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.64
Rot. Bonds3

About 1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide

1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide (PubChem CID 114609767) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide
PubChem CID114609767
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide
SMILESO=C(NC1CCCCCC1O)c1cccn1C1CCC1
InChIInChI=1S/C16H24N2O2/c19-15-10-3-1-2-8-13(15)17-16(20)14-9-5-11-18(14)12-6-4-7-12/h5,9,11-13,15,19H,1-4,6-8,10H2,(H,17,20)
InChIKeyXXZTVRBDBHLESQ-UHFFFAOYSA-N
XLogP2.64
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-[(2-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 110007316
1-cyclohexylpyrrole-2-carboxamide
CID 150262171
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114610515
4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide
CID 107211253
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410
4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid
CID 114608562
1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 114609194
(1-cyclohexylpyrrol-2-yl)-phenylmethanone
CID 25137250
N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide
CID 113394900
1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide
CID 91774545
N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114610041
1-cyclobutyl-N-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2-carboxamide
CID 114609590

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide?
The IUPAC name of 1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide (CID 114609767) is 1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide is O=C(NC1CCCCCC1O)c1cccn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide?
The InChIKey is XXZTVRBDBHLESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-15-10-3-1-2-8-13(15)17-16(20)14-9-5-11-18(14)12-6-4-7-12/h5,9,11-13,15,19H,1-4,6-8,10H2,(H,17,20).
What are the key properties of 1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide?
1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114609767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).