(3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone

C9H12ClN3O — CID 62068437

IUPAC(3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
SMILESNC1CCN(C(=O)c2cc(Cl)c[nH]2)C1
InChIInChI=1S/C9H12ClN3O/c10-6-3-8(12-4-6)9(14)13-2-1-7(11)5-13/h3-4,7,12H,1-2,5,11H2
InChIKeyIJEHPPUIXKCUAW-UHFFFAOYSA-N
MW213.67 g/mol
LogP0.84
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone

(3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone (PubChem CID 62068437) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
PubChem CID62068437
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name(3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
SMILESNC1CCN(C(=O)c2cc(Cl)c[nH]2)C1
InChIInChI=1S/C9H12ClN3O/c10-6-3-8(12-4-6)9(14)13-2-1-7(11)5-13/h3-4,7,12H,1-2,5,11H2
InChIKeyIJEHPPUIXKCUAW-UHFFFAOYSA-N
XLogP0.84
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746683
(4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone
CID 65417892
(4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535398
(4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 56820747
[(3R)-3-aminopyrrolidin-1-yl]-(5,6-dichloro-1H-indol-2-yl)methanone
CID 139371774
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
(3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone
CID 139371790
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999
1-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129490144
[(3R)-3-aminopyrrolidin-1-yl]-(5-bromo-1H-pyrrol-3-yl)methanone;hydrochloride
CID 131101757
(4-chloro-1H-pyrrol-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38479790
4-chloro-1H-pyrrole-2-carboxylic acid
CID 7130842

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone (CID 62068437) is (3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone is NC1CCN(C(=O)c2cc(Cl)c[nH]2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone?
The InChIKey is IJEHPPUIXKCUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-6-3-8(12-4-6)9(14)13-2-1-7(11)5-13/h3-4,7,12H,1-2,5,11H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone?
(3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone has a molecular weight of 213.67 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 62068437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).