4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one

C11H13IN2O — CID 168660871

IUPAC4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ccccc2I)C1
InChIInChI=1S/C11H13IN2O/c12-9-3-1-2-4-10(9)14-7-8(6-13)5-11(14)15/h1-4,8H,5-7,13H2
InChIKeyRVJQMQHJCUHRNS-UHFFFAOYSA-N
MW316.14 g/mol
LogP1.60
Rot. Bonds2

About 4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one

4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one (PubChem CID 168660871) has the molecular formula C11H13IN2O and a molecular weight of 316.14 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one
PubChem CID168660871
Molecular FormulaC11H13IN2O
Molecular Weight316.14 g/mol
Exact Mass316.01
IUPAC Name4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ccccc2I)C1
InChIInChI=1S/C11H13IN2O/c12-9-3-1-2-4-10(9)14-7-8(6-13)5-11(14)15/h1-4,8H,5-7,13H2
InChIKeyRVJQMQHJCUHRNS-UHFFFAOYSA-N
XLogP1.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
CID 168661300
4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one
CID 168661049
4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one
CID 168661060
4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one
CID 168660883
4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one
CID 83529866
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide
CID 168659058
1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660818
4-(aminomethyl)-1-(1-methylindazol-4-yl)pyrrolidin-2-one
CID 168660105
1-(2-amino-3,4-dimethylphenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168659787
4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one
CID 168659847
1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660638
4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
CID 168660724

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one (CID 168660871) is 4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one is NCC1CC(=O)N(c2ccccc2I)C1.
What is the InChIKey of 4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one?
The InChIKey is RVJQMQHJCUHRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O/c12-9-3-1-2-4-10(9)14-7-8(6-13)5-11(14)15/h1-4,8H,5-7,13H2.
What are the key properties of 4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one has a molecular weight of 316.14 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168660871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).