4-(chloromethyl)-1-(2-phenylcyclopropyl)pyrrolidin-2-one

C14H16ClNO — CID 168506461

IUPAC4-(chloromethyl)-1-(2-phenylcyclopropyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1C1CC1c1ccccc1
InChIInChI=1S/C14H16ClNO/c15-8-10-6-14(17)16(9-10)13-7-12(13)11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2
InChIKeyMHFQDDRKMQDFRS-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.63
Rot. Bonds3

About 4-(chloromethyl)-1-(2-phenylcyclopropyl)pyrrolidin-2-one

4-(chloromethyl)-1-(2-phenylcyclopropyl)pyrrolidin-2-one (PubChem CID 168506461) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(2-phenylcyclopropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(2-phenylcyclopropyl)pyrrolidin-2-one
PubChem CID168506461
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name4-(chloromethyl)-1-(2-phenylcyclopropyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1C1CC1c1ccccc1
InChIInChI=1S/C14H16ClNO/c15-8-10-6-14(17)16(9-10)13-7-12(13)11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2
InChIKeyMHFQDDRKMQDFRS-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.63
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

(4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one
CID 94003407
1-(2-phenylcyclopropyl)pyrrolidine-2,4-dione
CID 79515896
1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-2-one
CID 11264129
1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea
CID 124507736
3-[[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]methyl]benzoic acid
CID 122031637
4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
CID 168508906
1-(2-phenylcyclopropyl)piperazine-2,5-dione
CID 64955530
4-[(2-fluoro-4-pyridin-4-ylphenyl)methylamino]-1-(2-phenylcyclopropyl)pyrrolidin-2-one
CID 166200491
6-[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122054063
1-(2-benzylphenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509240
N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119342635
4-(aminomethyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride
CID 120936806

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(2-phenylcyclopropyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(2-phenylcyclopropyl)pyrrolidin-2-one (CID 168506461) is 4-(chloromethyl)-1-(2-phenylcyclopropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(2-phenylcyclopropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(2-phenylcyclopropyl)pyrrolidin-2-one is O=C1CC(CCl)CN1C1CC1c1ccccc1.
What is the InChIKey of 4-(chloromethyl)-1-(2-phenylcyclopropyl)pyrrolidin-2-one?
The InChIKey is MHFQDDRKMQDFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c15-8-10-6-14(17)16(9-10)13-7-12(13)11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2.
What are the key properties of 4-(chloromethyl)-1-(2-phenylcyclopropyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(2-phenylcyclopropyl)pyrrolidin-2-one has a molecular weight of 249.74 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(2-phenylcyclopropyl)pyrrolidin-2-one is sourced from PubChem (CID 168506461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).