1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one

C11H13ClN2O — CID 88577305

IUPAC1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(CNCl)c1
InChIInChI=1S/C11H13ClN2O/c12-13-8-9-3-1-4-10(7-9)14-6-2-5-11(14)15/h1,3-4,7,13H,2,5-6,8H2
InChIKeyLCQRIPORVIWWDF-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.06
Rot. Bonds3

About 1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one

1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one (PubChem CID 88577305) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
PubChem CID88577305
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(CNCl)c1
InChIInChI=1S/C11H13ClN2O/c12-13-8-9-3-1-4-10(7-9)14-6-2-5-11(14)15/h1,3-4,7,13H,2,5-6,8H2
InChIKeyLCQRIPORVIWWDF-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 68967881
4-[[[3-(2-oxopyrrolidin-1-yl)phenyl]methylamino]methyl]benzoic acid
CID 122030295
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 120970003
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 58826741
1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one
CID 133482001
1-[3-[(3-bromophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680049
2,5-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 39667551

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one (CID 88577305) is 1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1cccc(CNCl)c1.
What is the InChIKey of 1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one?
The InChIKey is LCQRIPORVIWWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-13-8-9-3-1-4-10(7-9)14-6-2-5-11(14)15/h1,3-4,7,13H,2,5-6,8H2.
What are the key properties of 1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one?
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one has a molecular weight of 224.69 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 88577305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).