4-(chloromethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one

C15H16ClNO2 — CID 168508813

IUPAC4-(chloromethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one
SMILESO=C1CCCc2cc(N3CC(CCl)CC3=O)ccc21
InChIInChI=1S/C15H16ClNO2/c16-8-10-6-15(19)17(9-10)12-4-5-13-11(7-12)2-1-3-14(13)18/h4-5,7,10H,1-3,6,8-9H2
InChIKeyXZZJPWRANZXNBD-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.80
Rot. Bonds2

About 4-(chloromethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one

4-(chloromethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one (PubChem CID 168508813) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one
PubChem CID168508813
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name4-(chloromethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one
SMILESO=C1CCCc2cc(N3CC(CCl)CC3=O)ccc21
InChIInChI=1S/C15H16ClNO2/c16-8-10-6-15(19)17(9-10)12-4-5-13-11(7-12)2-1-3-14(13)18/h4-5,7,10H,1-3,6,8-9H2
InChIKeyXZZJPWRANZXNBD-UHFFFAOYSA-N
XLogP2.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one
CID 168505492
[5-oxo-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677002
4-(chloromethyl)-1-(3-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 168509498
4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168508820
4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one
CID 168508786
1-(1-oxo-2,3-dihydroinden-5-yl)-4-sulfanylpyrrolidin-2-one
CID 168709894
4-(chloromethyl)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 168509492
7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 168509383
4-(chloromethyl)-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
CID 168507722
4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one
CID 168508834
4-(bromomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
CID 168505993
5-oxo-1-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrrolidine-3-sulfonyl chloride
CID 168712750

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one (CID 168508813) is 4-(chloromethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one is O=C1CCCc2cc(N3CC(CCl)CC3=O)ccc21.
What is the InChIKey of 4-(chloromethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one?
The InChIKey is XZZJPWRANZXNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-8-10-6-15(19)17(9-10)12-4-5-13-11(7-12)2-1-3-14(13)18/h4-5,7,10H,1-3,6,8-9H2.
What are the key properties of 4-(chloromethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one?
4-(chloromethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one has a molecular weight of 277.75 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168508813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).