(Z)-4-(pentylamino)pent-3-en-2-one

C10H19NO — CID 130176447

IUPAC(Z)-4-(pentylamino)pent-3-en-2-one
SMILESCCCCCN/C(C)=C\C(C)=O
InChIInChI=1S/C10H19NO/c1-4-5-6-7-11-9(2)8-10(3)12/h8,11H,4-7H2,1-3H3/b9-8-
InChIKeyONSXFMARRZFSQA-HJWRWDBZSA-N
MW169.27 g/mol
LogP2.26
Rot. Bonds6

About (Z)-4-(pentylamino)pent-3-en-2-one

(Z)-4-(pentylamino)pent-3-en-2-one (PubChem CID 130176447) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z)-4-(pentylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(pentylamino)pent-3-en-2-one
PubChem CID130176447
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(Z)-4-(pentylamino)pent-3-en-2-one
SMILESCCCCCN/C(C)=C\C(C)=O
InChIInChI=1S/C10H19NO/c1-4-5-6-7-11-9(2)8-10(3)12/h8,11H,4-7H2,1-3H3/b9-8-
InChIKeyONSXFMARRZFSQA-HJWRWDBZSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-(pentylamino)pent-3-en-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 (Z)-4-(pentylamino)pent-3-en-2-one?
The IUPAC name of (Z)-4-(pentylamino)pent-3-en-2-one (CID 130176447) is (Z)-4-(pentylamino)pent-3-en-2-one.
What is the SMILES notation for (Z)-4-(pentylamino)pent-3-en-2-one?
The canonical SMILES for (Z)-4-(pentylamino)pent-3-en-2-one is CCCCCN/C(C)=C\C(C)=O.
What is the InChIKey of (Z)-4-(pentylamino)pent-3-en-2-one?
The InChIKey is ONSXFMARRZFSQA-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-6-7-11-9(2)8-10(3)12/h8,11H,4-7H2,1-3H3/b9-8-.
What are the key properties of (Z)-4-(pentylamino)pent-3-en-2-one?
(Z)-4-(pentylamino)pent-3-en-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(pentylamino)pent-3-en-2-one is sourced from PubChem (CID 130176447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).