(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone

C14H16ClNO — CID 63394917

IUPAC(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCC(Cl)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C14H16ClNO/c15-12-6-9-16(10-12)13(17)14(7-8-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyVJFAELVEZMQYGR-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.56
Rot. Bonds2

About (3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone

(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone (PubChem CID 63394917) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is (3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
PubChem CID63394917
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCC(Cl)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C14H16ClNO/c15-12-6-9-16(10-12)13(17)14(7-8-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyVJFAELVEZMQYGR-UHFFFAOYSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201
(4-bromo-3-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 114683504
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493
(4-amino-3-ethylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 81457070
methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate
CID 78968034
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645
(1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996455
[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119560283
(1-phenylcyclopropyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 71929478
[4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 166001503
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 103677890

Frequently Asked Questions

What is the IUPAC name of (3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone?
The IUPAC name of (3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone (CID 63394917) is (3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for (3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone?
The canonical SMILES for (3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone is O=C(N1CCC(Cl)C1)C1(c2ccccc2)CC1.
What is the InChIKey of (3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone?
The InChIKey is VJFAELVEZMQYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c15-12-6-9-16(10-12)13(17)14(7-8-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of (3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone?
(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone has a molecular weight of 249.74 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 63394917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).