(3-amino-4-cyclopropylpyrrolidin-1-yl)-(3-chloro-5-methoxyphenyl)methanone

C15H19ClN2O2 — CID 156604167

IUPAC(3-amino-4-cyclopropylpyrrolidin-1-yl)-(3-chloro-5-methoxyphenyl)methanone
SMILESCOc1cc(Cl)cc(C(=O)N2CC(N)C(C3CC3)C2)c1
InChIInChI=1S/C15H19ClN2O2/c1-20-12-5-10(4-11(16)6-12)15(19)18-7-13(9-2-3-9)14(17)8-18/h4-6,9,13-14H,2-3,7-8,17H2,1H3
InChIKeyZWIUSIDGUZZYMI-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.16
Rot. Bonds3

About (3-amino-4-cyclopropylpyrrolidin-1-yl)-(3-chloro-5-methoxyphenyl)methanone

(3-amino-4-cyclopropylpyrrolidin-1-yl)-(3-chloro-5-methoxyphenyl)methanone (PubChem CID 156604167) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (3-amino-4-cyclopropylpyrrolidin-1-yl)-(3-chloro-5-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-cyclopropylpyrrolidin-1-yl)-(3-chloro-5-methoxyphenyl)methanone
PubChem CID156604167
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(3-amino-4-cyclopropylpyrrolidin-1-yl)-(3-chloro-5-methoxyphenyl)methanone
SMILESCOc1cc(Cl)cc(C(=O)N2CC(N)C(C3CC3)C2)c1
InChIInChI=1S/C15H19ClN2O2/c1-20-12-5-10(4-11(16)6-12)15(19)18-7-13(9-2-3-9)14(17)8-18/h4-6,9,13-14H,2-3,7-8,17H2,1H3
InChIKeyZWIUSIDGUZZYMI-UHFFFAOYSA-N
XLogP2.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,3aS,6aS)-3-(4-methoxyphenyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-chloro-5-methoxyphenyl)methanone;hydrochloride
CID 171707843
(3-amino-4-cyclopropylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 156604160
[(3aS,7R,7aR)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-(3-chloro-5-methoxyphenyl)methanone
CID 135111944
(3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone
CID 50955951
(3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119482519
(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 156604295
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[4-(hydroxymethyl)phenyl]methanone
CID 133115424
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone
CID 72853307
(3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119377142
(3-amino-5-methoxyphenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107210906
3-[(3R)-1-(3-chloro-5-methoxybenzoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137210454
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 113080341

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-cyclopropylpyrrolidin-1-yl)-(3-chloro-5-methoxyphenyl)methanone?
The IUPAC name of (3-amino-4-cyclopropylpyrrolidin-1-yl)-(3-chloro-5-methoxyphenyl)methanone (CID 156604167) is (3-amino-4-cyclopropylpyrrolidin-1-yl)-(3-chloro-5-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-4-cyclopropylpyrrolidin-1-yl)-(3-chloro-5-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-4-cyclopropylpyrrolidin-1-yl)-(3-chloro-5-methoxyphenyl)methanone is COc1cc(Cl)cc(C(=O)N2CC(N)C(C3CC3)C2)c1.
What is the InChIKey of (3-amino-4-cyclopropylpyrrolidin-1-yl)-(3-chloro-5-methoxyphenyl)methanone?
The InChIKey is ZWIUSIDGUZZYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-20-12-5-10(4-11(16)6-12)15(19)18-7-13(9-2-3-9)14(17)8-18/h4-6,9,13-14H,2-3,7-8,17H2,1H3.
What are the key properties of (3-amino-4-cyclopropylpyrrolidin-1-yl)-(3-chloro-5-methoxyphenyl)methanone?
(3-amino-4-cyclopropylpyrrolidin-1-yl)-(3-chloro-5-methoxyphenyl)methanone has a molecular weight of 294.78 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-cyclopropylpyrrolidin-1-yl)-(3-chloro-5-methoxyphenyl)methanone is sourced from PubChem (CID 156604167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).