(Z)-3-methyl-2-[[(Z)-prop-1-enyl]iminomethyl]pent-2-enamide

C10H16N2O — CID 134569648

IUPAC(Z)-3-methyl-2-[[(Z)-prop-1-enyl]iminomethyl]pent-2-enamide
SMILESC/C=C\N=C\C(C(N)=O)=C(/C)CC
InChIInChI=1S/C10H16N2O/c1-4-6-12-7-9(10(11)13)8(3)5-2/h4,6-7H,5H2,1-3H3,(H2,11,13)/b6-4-,9-8-,12-7+
InChIKeyZAVGELHIVXHRMM-PUMXXZPJSA-N
MW180.25 g/mol
LogP1.80
Rot. Bonds4

About (Z)-3-methyl-2-[[(Z)-prop-1-enyl]iminomethyl]pent-2-enamide

(Z)-3-methyl-2-[[(Z)-prop-1-enyl]iminomethyl]pent-2-enamide (PubChem CID 134569648) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (Z)-3-methyl-2-[[(Z)-prop-1-enyl]iminomethyl]pent-2-enamide.

Molecular Properties

Compound Name(Z)-3-methyl-2-[[(Z)-prop-1-enyl]iminomethyl]pent-2-enamide
PubChem CID134569648
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(Z)-3-methyl-2-[[(Z)-prop-1-enyl]iminomethyl]pent-2-enamide
SMILESC/C=C\N=C\C(C(N)=O)=C(/C)CC
InChIInChI=1S/C10H16N2O/c1-4-6-12-7-9(10(11)13)8(3)5-2/h4,6-7H,5H2,1-3H3,(H2,11,13)/b6-4-,9-8-,12-7+
InChIKeyZAVGELHIVXHRMM-PUMXXZPJSA-N
XLogP1.80
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-methyl-2-[[(Z)-prop-1-enyl]iminomethyl]pent-2-enamide 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)-3-methyl-2-[[(Z)-prop-1-enyl]iminomethyl]pent-2-enamide?
The IUPAC name of (Z)-3-methyl-2-[[(Z)-prop-1-enyl]iminomethyl]pent-2-enamide (CID 134569648) is (Z)-3-methyl-2-[[(Z)-prop-1-enyl]iminomethyl]pent-2-enamide.
What is the SMILES notation for (Z)-3-methyl-2-[[(Z)-prop-1-enyl]iminomethyl]pent-2-enamide?
The canonical SMILES for (Z)-3-methyl-2-[[(Z)-prop-1-enyl]iminomethyl]pent-2-enamide is C/C=C\N=C\C(C(N)=O)=C(/C)CC.
What is the InChIKey of (Z)-3-methyl-2-[[(Z)-prop-1-enyl]iminomethyl]pent-2-enamide?
The InChIKey is ZAVGELHIVXHRMM-PUMXXZPJSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-6-12-7-9(10(11)13)8(3)5-2/h4,6-7H,5H2,1-3H3,(H2,11,13)/b6-4-,9-8-,12-7+.
What are the key properties of (Z)-3-methyl-2-[[(Z)-prop-1-enyl]iminomethyl]pent-2-enamide?
(Z)-3-methyl-2-[[(Z)-prop-1-enyl]iminomethyl]pent-2-enamide has a molecular weight of 180.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-2-[[(Z)-prop-1-enyl]iminomethyl]pent-2-enamide is sourced from PubChem (CID 134569648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).