(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone

C14H17ClN2O — CID 118793699

IUPAC(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC(c3ccccc3Cl)C2)CC1
InChIInChI=1S/C14H17ClN2O/c15-12-4-2-1-3-11(12)10-5-8-17(9-10)13(18)14(16)6-7-14/h1-4,10H,5-9,16H2
InChIKeyMTVSZDNOCBFFPO-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.15
Rot. Bonds2

About (1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone

(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 118793699) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone
PubChem CID118793699
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC(c3ccccc3Cl)C2)CC1
InChIInChI=1S/C14H17ClN2O/c15-12-4-2-1-3-11(12)10-5-8-17(9-10)13(18)14(16)6-7-14/h1-4,10H,5-9,16H2
InChIKeyMTVSZDNOCBFFPO-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 154905009
1-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylurea
CID 119064064
1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 91767867
(1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone
CID 119770810
[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 118778888
(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride
CID 119278406
1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118786989
4-[2-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 126425673
(4-amino-1-bicyclo[2.2.2]octanyl)-(3-naphthalen-1-ylpyrrolidin-1-yl)methanone
CID 166303264
5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 126435275
[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72926522
(1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride
CID 119316131

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone (CID 118793699) is (1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone is NC1(C(=O)N2CCC(c3ccccc3Cl)C2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is MTVSZDNOCBFFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-12-4-2-1-3-11(12)10-5-8-17(9-10)13(18)14(16)6-7-14/h1-4,10H,5-9,16H2.
What are the key properties of (1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 264.76 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118793699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).