N-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide

C11H16ClN3O — CID 63888390

IUPACN-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide
SMILESNCC1(NC(=O)c2cc(Cl)c[nH]2)CCCC1
InChIInChI=1S/C11H16ClN3O/c12-8-5-9(14-6-8)10(16)15-11(7-13)3-1-2-4-11/h5-6,14H,1-4,7,13H2,(H,15,16)
InChIKeySPYGYJVLODLDRK-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.67
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide

N-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide (PubChem CID 63888390) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide
PubChem CID63888390
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide
SMILESNCC1(NC(=O)c2cc(Cl)c[nH]2)CCCC1
InChIInChI=1S/C11H16ClN3O/c12-8-5-9(14-6-8)10(16)15-11(7-13)3-1-2-4-11/h5-6,14H,1-4,7,13H2,(H,15,16)
InChIKeySPYGYJVLODLDRK-UHFFFAOYSA-N
XLogP1.67
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 63887592
N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 103806869
N-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride
CID 119566570
N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82883175
4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 80717603
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
N-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide
CID 63888380
2-[1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671811
N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
CID 63755319
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
N-[1-(aminomethyl)cyclopentyl]-3,4-difluorobenzamide;hydrochloride
CID 119567629
N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride
CID 119567613

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide (CID 63888390) is N-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide is NCC1(NC(=O)c2cc(Cl)c[nH]2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide?
The InChIKey is SPYGYJVLODLDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-8-5-9(14-6-8)10(16)15-11(7-13)3-1-2-4-11/h5-6,14H,1-4,7,13H2,(H,15,16).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 63888390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).