1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one

C10H19N5O — CID 168655557

IUPAC1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one
SMILESCCC(N)CCN1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C10H19N5O/c1-2-9(11)3-4-15-7-8(5-10(15)16)6-13-14-12/h8-9H,2-7,11H2,1H3
InChIKeyNQXPKIQTOPCTMV-UHFFFAOYSA-N
MW225.30 g/mol
LogP1.27
Rot. Bonds6

About 1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one

1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one (PubChem CID 168655557) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one
PubChem CID168655557
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one
SMILESCCC(N)CCN1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C10H19N5O/c1-2-9(11)3-4-15-7-8(5-10(15)16)6-13-14-12/h8-9H,2-7,11H2,1H3
InChIKeyNQXPKIQTOPCTMV-UHFFFAOYSA-N
XLogP1.27
TPSA95.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one (CID 168655557) is 1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one is CCC(N)CCN1CC(CN=[N+]=[N-])CC1=O.
What is the InChIKey of 1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one?
The InChIKey is NQXPKIQTOPCTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-2-9(11)3-4-15-7-8(5-10(15)16)6-13-14-12/h8-9H,2-7,11H2,1H3.
What are the key properties of 1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one?
1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one has a molecular weight of 225.30 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one is sourced from PubChem (CID 168655557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).