N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrrole-2-carboxamide

C11H16N2O — CID 59304520

IUPACN-[(1S,2S)-2-methylcyclopentyl]-1H-pyrrole-2-carboxamide
SMILESC[C@H]1CCC[C@@H]1NC(=O)c1ccc[nH]1
InChIInChI=1S/C11H16N2O/c1-8-4-2-5-9(8)13-11(14)10-6-3-7-12-10/h3,6-9,12H,2,4-5H2,1H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyZOHUVZKFUZJBJJ-IUCAKERBSA-N
MW192.26 g/mol
LogP1.93
Rot. Bonds2

About N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrrole-2-carboxamide

N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrrole-2-carboxamide (PubChem CID 59304520) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methylcyclopentyl]-1H-pyrrole-2-carboxamide
PubChem CID59304520
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[(1S,2S)-2-methylcyclopentyl]-1H-pyrrole-2-carboxamide
SMILESC[C@H]1CCC[C@@H]1NC(=O)c1ccc[nH]1
InChIInChI=1S/C11H16N2O/c1-8-4-2-5-9(8)13-11(14)10-6-3-7-12-10/h3,6-9,12H,2,4-5H2,1H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyZOHUVZKFUZJBJJ-IUCAKERBSA-N
XLogP1.93
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 1H-pyrrole-2-carboxylate
CID 8548547
N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrazole-5-carboxamide
CID 59304482
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549722
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
[(2R)-1-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 1H-pyrrole-2-carboxylate
CID 11929397
N-(2-methylcyclopentyl)-6-oxo-1H-pyridine-3-carboxamide
CID 63279324
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889054
N-(2-methylcyclohexyl)-2-(propan-2-ylamino)benzamide
CID 63107606
N-(azetidin-3-yl)-1H-pyrrole-2-carboxamide
CID 66187212
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrrole-2-carboxamide (CID 59304520) is N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrrole-2-carboxamide is C[C@H]1CCC[C@@H]1NC(=O)c1ccc[nH]1.
What is the InChIKey of N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ZOHUVZKFUZJBJJ-IUCAKERBSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-4-2-5-9(8)13-11(14)10-6-3-7-12-10/h3,6-9,12H,2,4-5H2,1H3,(H,13,14)/t8-,9-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrrole-2-carboxamide?
N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrrole-2-carboxamide has a molecular weight of 192.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 59304520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).