(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone

C11H13ClN2O — CID 59657899

IUPAC(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
SMILESNC1CCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H13ClN2O/c12-9-3-1-8(2-4-9)11(15)14-6-5-10(13)7-14/h1-4,10H,5-7,13H2
InChIKeySKEFURKVIBJSEV-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.51
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone

(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone (PubChem CID 59657899) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
PubChem CID59657899
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
SMILESNC1CCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H13ClN2O/c12-9-3-1-8(2-4-9)11(15)14-6-5-10(13)7-14/h1-4,10H,5-7,13H2
InChIKeySKEFURKVIBJSEV-UHFFFAOYSA-N
XLogP1.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone
CID 175436371
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone
CID 119410324
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-chlorophenyl)methanone
CID 80552612
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532
[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 129415328
(3-aminopyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone
CID 107027839
(3-aminopyrrolidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727512
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone (CID 59657899) is (3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone is NC1CCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone?
The InChIKey is SKEFURKVIBJSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-9-3-1-8(2-4-9)11(15)14-6-5-10(13)7-14/h1-4,10H,5-7,13H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone?
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone has a molecular weight of 224.69 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 59657899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).