3-[(E)-2-(aminophosphanylideneamino)pent-3-enyl]pyrrolidin-2-one

C9H16N3OP — CID 23594727

IUPAC3-[(E)-2-(aminophosphanylideneamino)pent-3-enyl]pyrrolidin-2-one
SMILESC/C=C/C(CC1CCNC1=O)/N=P/N
InChIInChI=1S/C9H16N3OP/c1-2-3-8(12-14-10)6-7-4-5-11-9(7)13/h2-3,7-8H,4-6H2,1H3,(H2,10,12)(H,11,13)/b3-2+
InChIKeyRLQSAMNCDRWSHH-NSCUHMNNSA-N
MW213.22 g/mol
LogP1.46
Rot. Bonds4

About 3-[(E)-2-(aminophosphanylideneamino)pent-3-enyl]pyrrolidin-2-one

3-[(E)-2-(aminophosphanylideneamino)pent-3-enyl]pyrrolidin-2-one (PubChem CID 23594727) has the molecular formula C9H16N3OP and a molecular weight of 213.22 g/mol. Its IUPAC name is 3-[(E)-2-(aminophosphanylideneamino)pent-3-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(E)-2-(aminophosphanylideneamino)pent-3-enyl]pyrrolidin-2-one
PubChem CID23594727
Molecular FormulaC9H16N3OP
Molecular Weight213.22 g/mol
Exact Mass213.10
IUPAC Name3-[(E)-2-(aminophosphanylideneamino)pent-3-enyl]pyrrolidin-2-one
SMILESC/C=C/C(CC1CCNC1=O)/N=P/N
InChIInChI=1S/C9H16N3OP/c1-2-3-8(12-14-10)6-7-4-5-11-9(7)13/h2-3,7-8H,4-6H2,1H3,(H2,10,12)(H,11,13)/b3-2+
InChIKeyRLQSAMNCDRWSHH-NSCUHMNNSA-N
XLogP1.46
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(E)-2-(aminophosphanylideneamino)pent-3-enyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(aminophosphanylideneamino)pent-3-enyl]pyrrolidin-2-one?
The IUPAC name of 3-[(E)-2-(aminophosphanylideneamino)pent-3-enyl]pyrrolidin-2-one (CID 23594727) is 3-[(E)-2-(aminophosphanylideneamino)pent-3-enyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[(E)-2-(aminophosphanylideneamino)pent-3-enyl]pyrrolidin-2-one?
The canonical SMILES for 3-[(E)-2-(aminophosphanylideneamino)pent-3-enyl]pyrrolidin-2-one is C/C=C/C(CC1CCNC1=O)/N=P/N.
What is the InChIKey of 3-[(E)-2-(aminophosphanylideneamino)pent-3-enyl]pyrrolidin-2-one?
The InChIKey is RLQSAMNCDRWSHH-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H16N3OP/c1-2-3-8(12-14-10)6-7-4-5-11-9(7)13/h2-3,7-8H,4-6H2,1H3,(H2,10,12)(H,11,13)/b3-2+.
What are the key properties of 3-[(E)-2-(aminophosphanylideneamino)pent-3-enyl]pyrrolidin-2-one?
3-[(E)-2-(aminophosphanylideneamino)pent-3-enyl]pyrrolidin-2-one has a molecular weight of 213.22 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(aminophosphanylideneamino)pent-3-enyl]pyrrolidin-2-one is sourced from PubChem (CID 23594727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).