(Z)-3-(methyliminomethyl)pent-2-enamide

C7H12N2O — CID 130459439

IUPAC(Z)-3-(methyliminomethyl)pent-2-enamide
SMILESCCC(=C/C(N)=O)/C=N/C
InChIInChI=1S/C7H12N2O/c1-3-6(5-9-2)4-7(8)10/h4-5H,3H2,1-2H3,(H2,8,10)/b6-4-,9-5+
InChIKeyXUIZSZQRTAMWBO-QUNSIMLLSA-N
MW140.19 g/mol
LogP0.51
Rot. Bonds3

About (Z)-3-(methyliminomethyl)pent-2-enamide

(Z)-3-(methyliminomethyl)pent-2-enamide (PubChem CID 130459439) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (Z)-3-(methyliminomethyl)pent-2-enamide.

Molecular Properties

Compound Name(Z)-3-(methyliminomethyl)pent-2-enamide
PubChem CID130459439
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(Z)-3-(methyliminomethyl)pent-2-enamide
SMILESCCC(=C/C(N)=O)/C=N/C
InChIInChI=1S/C7H12N2O/c1-3-6(5-9-2)4-7(8)10/h4-5H,3H2,1-2H3,(H2,8,10)/b6-4-,9-5+
InChIKeyXUIZSZQRTAMWBO-QUNSIMLLSA-N
XLogP0.51
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.51
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(methyliminomethyl)pent-2-enamide?
The IUPAC name of (Z)-3-(methyliminomethyl)pent-2-enamide (CID 130459439) is (Z)-3-(methyliminomethyl)pent-2-enamide.
What is the SMILES notation for (Z)-3-(methyliminomethyl)pent-2-enamide?
The canonical SMILES for (Z)-3-(methyliminomethyl)pent-2-enamide is CCC(=C/C(N)=O)/C=N/C.
What is the InChIKey of (Z)-3-(methyliminomethyl)pent-2-enamide?
The InChIKey is XUIZSZQRTAMWBO-QUNSIMLLSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-6(5-9-2)4-7(8)10/h4-5H,3H2,1-2H3,(H2,8,10)/b6-4-,9-5+.
What are the key properties of (Z)-3-(methyliminomethyl)pent-2-enamide?
(Z)-3-(methyliminomethyl)pent-2-enamide has a molecular weight of 140.19 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(methyliminomethyl)pent-2-enamide is sourced from PubChem (CID 130459439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).