4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one

C9H14N4O — CID 168657130

IUPAC4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C9H14N4O/c10-12-11-4-8-3-9(14)13(6-8)5-7-1-2-7/h7-8H,1-6H2
InChIKeyCUZDSEWJTCCJBF-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.56
Rot. Bonds4

About 4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one

4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one (PubChem CID 168657130) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one
PubChem CID168657130
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C9H14N4O/c10-12-11-4-8-3-9(14)13(6-8)5-7-1-2-7/h7-8H,1-6H2
InChIKeyCUZDSEWJTCCJBF-UHFFFAOYSA-N
XLogP1.56
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[[(1S,3R)-3-(aminomethyl)cyclohexyl]methyl]-4-(azidomethyl)pyrrolidin-2-one
CID 168655418
4-(azidomethyl)-1-cyclopropylpyrrolidin-2-one
CID 168657099
4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one
CID 168656366
4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one
CID 168656073
4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one
CID 168657119
1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168655557
4-(azidomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168655733
4-(azidomethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidin-2-one
CID 168655926
4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one
CID 168656232
4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168656177
4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
CID 168657235
4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 168657443

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one (CID 168657130) is 4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(CC2CC2)C1.
What is the InChIKey of 4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one?
The InChIKey is CUZDSEWJTCCJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-12-11-4-8-3-9(14)13(6-8)5-7-1-2-7/h7-8H,1-6H2.
What are the key properties of 4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one?
4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one has a molecular weight of 194.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168657130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).