N-(1H-pyrrol-2-ylmethyl)cyclopentanecarboxamide

C11H16N2O — CID 110461302

IUPACN-(1H-pyrrol-2-ylmethyl)cyclopentanecarboxamide
SMILESO=C(NCc1ccc[nH]1)C1CCCC1
InChIInChI=1S/C11H16N2O/c14-11(9-4-1-2-5-9)13-8-10-6-3-7-12-10/h3,6-7,9,12H,1-2,4-5,8H2,(H,13,14)
InChIKeyPFXLMPXXQKZHTQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.82
Rot. Bonds3

About N-(1H-pyrrol-2-ylmethyl)cyclopentanecarboxamide

N-(1H-pyrrol-2-ylmethyl)cyclopentanecarboxamide (PubChem CID 110461302) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-(1H-pyrrol-2-ylmethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1H-pyrrol-2-ylmethyl)cyclopentanecarboxamide
PubChem CID110461302
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-(1H-pyrrol-2-ylmethyl)cyclopentanecarboxamide
SMILESO=C(NCc1ccc[nH]1)C1CCCC1
InChIInChI=1S/C11H16N2O/c14-11(9-4-1-2-5-9)13-8-10-6-3-7-12-10/h3,6-7,9,12H,1-2,4-5,8H2,(H,13,14)
InChIKeyPFXLMPXXQKZHTQ-UHFFFAOYSA-N
XLogP1.82
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
N-benzylcyclopentanecarboxamide
CID 835634
N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991
N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide
CID 106385859
N-benzylcyclobutanecarboxamide
CID 730128
N'-(1H-pyrrol-2-ylmethyl)oxamide
CID 115191836
2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110374909
1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
CID 115184067
3-amino-N-[2-(1H-pyrrol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 115161673
methyl 1-(1H-pyrrol-2-ylmethylcarbamoyl)cyclobutane-1-carboxylate
CID 115184286
N-[(4-carbamothioylphenyl)methyl]cyclooctanecarboxamide
CID 65018764
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-2-ylmethyl)cyclopentanecarboxamide?
The IUPAC name of N-(1H-pyrrol-2-ylmethyl)cyclopentanecarboxamide (CID 110461302) is N-(1H-pyrrol-2-ylmethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1H-pyrrol-2-ylmethyl)cyclopentanecarboxamide?
The canonical SMILES for N-(1H-pyrrol-2-ylmethyl)cyclopentanecarboxamide is O=C(NCc1ccc[nH]1)C1CCCC1.
What is the InChIKey of N-(1H-pyrrol-2-ylmethyl)cyclopentanecarboxamide?
The InChIKey is PFXLMPXXQKZHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-11(9-4-1-2-5-9)13-8-10-6-3-7-12-10/h3,6-7,9,12H,1-2,4-5,8H2,(H,13,14).
What are the key properties of N-(1H-pyrrol-2-ylmethyl)cyclopentanecarboxamide?
N-(1H-pyrrol-2-ylmethyl)cyclopentanecarboxamide has a molecular weight of 192.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-2-ylmethyl)cyclopentanecarboxamide is sourced from PubChem (CID 110461302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).