(Z)-4-(methylamino)-5-(propan-2-ylamino)pent-4-en-2-one

C9H18N2O — CID 169244547

IUPAC(Z)-4-(methylamino)-5-(propan-2-ylamino)pent-4-en-2-one
SMILESCN/C(=C\NC(C)C)CC(C)=O
InChIInChI=1S/C9H18N2O/c1-7(2)11-6-9(10-4)5-8(3)12/h6-7,10-11H,5H2,1-4H3/b9-6-
InChIKeyJLBYUHHIYSTBDN-TWGQIWQCSA-N
MW170.26 g/mol
LogP1.02
Rot. Bonds5

About (Z)-4-(methylamino)-5-(propan-2-ylamino)pent-4-en-2-one

(Z)-4-(methylamino)-5-(propan-2-ylamino)pent-4-en-2-one (PubChem CID 169244547) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (Z)-4-(methylamino)-5-(propan-2-ylamino)pent-4-en-2-one.

Molecular Properties

Compound Name(Z)-4-(methylamino)-5-(propan-2-ylamino)pent-4-en-2-one
PubChem CID169244547
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(Z)-4-(methylamino)-5-(propan-2-ylamino)pent-4-en-2-one
SMILESCN/C(=C\NC(C)C)CC(C)=O
InChIInChI=1S/C9H18N2O/c1-7(2)11-6-9(10-4)5-8(3)12/h6-7,10-11H,5H2,1-4H3/b9-6-
InChIKeyJLBYUHHIYSTBDN-TWGQIWQCSA-N
XLogP1.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (Z)-4-(methylamino)-5-(propan-2-ylamino)pent-4-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-(methylamino)-5-(propan-2-ylamino)pent-4-en-2-one?
The IUPAC name of (Z)-4-(methylamino)-5-(propan-2-ylamino)pent-4-en-2-one (CID 169244547) is (Z)-4-(methylamino)-5-(propan-2-ylamino)pent-4-en-2-one.
What is the SMILES notation for (Z)-4-(methylamino)-5-(propan-2-ylamino)pent-4-en-2-one?
The canonical SMILES for (Z)-4-(methylamino)-5-(propan-2-ylamino)pent-4-en-2-one is CN/C(=C\NC(C)C)CC(C)=O.
What is the InChIKey of (Z)-4-(methylamino)-5-(propan-2-ylamino)pent-4-en-2-one?
The InChIKey is JLBYUHHIYSTBDN-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)11-6-9(10-4)5-8(3)12/h6-7,10-11H,5H2,1-4H3/b9-6-.
What are the key properties of (Z)-4-(methylamino)-5-(propan-2-ylamino)pent-4-en-2-one?
(Z)-4-(methylamino)-5-(propan-2-ylamino)pent-4-en-2-one has a molecular weight of 170.26 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(methylamino)-5-(propan-2-ylamino)pent-4-en-2-one is sourced from PubChem (CID 169244547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).