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

C11H21NO — CID 100927882

IUPAC(Z)-4-(hexylamino)pent-3-en-2-one
SMILESCCCCCCN/C(C)=C\C(C)=O
InChIInChI=1S/C11H21NO/c1-4-5-6-7-8-12-10(2)9-11(3)13/h9,12H,4-8H2,1-3H3/b10-9-
InChIKeyHWHOMNGNGBIKAO-KTKRTIGZSA-N
MW183.29 g/mol
LogP2.65
Rot. Bonds7

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

(Z)-4-(hexylamino)pent-3-en-2-one (PubChem CID 100927882) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (Z)-4-(hexylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(hexylamino)pent-3-en-2-one
PubChem CID100927882
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(Z)-4-(hexylamino)pent-3-en-2-one
SMILESCCCCCCN/C(C)=C\C(C)=O
InChIInChI=1S/C11H21NO/c1-4-5-6-7-8-12-10(2)9-11(3)13/h9,12H,4-8H2,1-3H3/b10-9-
InChIKeyHWHOMNGNGBIKAO-KTKRTIGZSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.65
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-(hexylamino)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-(hexylamino)pent-3-en-2-one?
The IUPAC name of (Z)-4-(hexylamino)pent-3-en-2-one (CID 100927882) is (Z)-4-(hexylamino)pent-3-en-2-one.
What is the SMILES notation for (Z)-4-(hexylamino)pent-3-en-2-one?
The canonical SMILES for (Z)-4-(hexylamino)pent-3-en-2-one is CCCCCCN/C(C)=C\C(C)=O.
What is the InChIKey of (Z)-4-(hexylamino)pent-3-en-2-one?
The InChIKey is HWHOMNGNGBIKAO-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-6-7-8-12-10(2)9-11(3)13/h9,12H,4-8H2,1-3H3/b10-9-.
What are the key properties of (Z)-4-(hexylamino)pent-3-en-2-one?
(Z)-4-(hexylamino)pent-3-en-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(hexylamino)pent-3-en-2-one is sourced from PubChem (CID 100927882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).