4-(pentan-3-ylamino)pent-3-en-2-one

C10H19NO — CID 139069284

IUPAC4-(pentan-3-ylamino)pent-3-en-2-one
SMILESCCC(CC)NC(C)=CC(C)=O
InChIInChI=1S/C10H19NO/c1-5-10(6-2)11-8(3)7-9(4)12/h7,10-11H,5-6H2,1-4H3
InChIKeyAZHUYVJNHFPFKO-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.26
Rot. Bonds5

About 4-(pentan-3-ylamino)pent-3-en-2-one

4-(pentan-3-ylamino)pent-3-en-2-one (PubChem CID 139069284) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(pentan-3-ylamino)pent-3-en-2-one.

Molecular Properties

Compound Name4-(pentan-3-ylamino)pent-3-en-2-one
PubChem CID139069284
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(pentan-3-ylamino)pent-3-en-2-one
SMILESCCC(CC)NC(C)=CC(C)=O
InChIInChI=1S/C10H19NO/c1-5-10(6-2)11-8(3)7-9(4)12/h7,10-11H,5-6H2,1-4H3
InChIKeyAZHUYVJNHFPFKO-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(pentan-3-ylamino)pent-3-en-2-one?
The IUPAC name of 4-(pentan-3-ylamino)pent-3-en-2-one (CID 139069284) is 4-(pentan-3-ylamino)pent-3-en-2-one.
What is the SMILES notation for 4-(pentan-3-ylamino)pent-3-en-2-one?
The canonical SMILES for 4-(pentan-3-ylamino)pent-3-en-2-one is CCC(CC)NC(C)=CC(C)=O.
What is the InChIKey of 4-(pentan-3-ylamino)pent-3-en-2-one?
The InChIKey is AZHUYVJNHFPFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-10(6-2)11-8(3)7-9(4)12/h7,10-11H,5-6H2,1-4H3.
What are the key properties of 4-(pentan-3-ylamino)pent-3-en-2-one?
4-(pentan-3-ylamino)pent-3-en-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentan-3-ylamino)pent-3-en-2-one is sourced from PubChem (CID 139069284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).