2-[(Z)-pent-2-en-2-yl]iminoacetamide

C7H12N2O — CID 142077923

IUPAC2-[(Z)-pent-2-en-2-yl]iminoacetamide
SMILESCC/C=C(C)\N=C\C(N)=O
InChIInChI=1S/C7H12N2O/c1-3-4-6(2)9-5-7(8)10/h4-5H,3H2,1-2H3,(H2,8,10)/b6-4-,9-5+
InChIKeyPWMULFCMQRKSOX-QUNSIMLLSA-N
MW140.19 g/mol
LogP0.86
Rot. Bonds3

About 2-[(Z)-pent-2-en-2-yl]iminoacetamide

2-[(Z)-pent-2-en-2-yl]iminoacetamide (PubChem CID 142077923) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-[(Z)-pent-2-en-2-yl]iminoacetamide.

Molecular Properties

Compound Name2-[(Z)-pent-2-en-2-yl]iminoacetamide
PubChem CID142077923
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-[(Z)-pent-2-en-2-yl]iminoacetamide
SMILESCC/C=C(C)\N=C\C(N)=O
InChIInChI=1S/C7H12N2O/c1-3-4-6(2)9-5-7(8)10/h4-5H,3H2,1-2H3,(H2,8,10)/b6-4-,9-5+
InChIKeyPWMULFCMQRKSOX-QUNSIMLLSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3H-pyridin-2-one
CID 141814
N-(3H-pyridin-1-ium-5-yl)acetamide
CID 57029910
N-(2-oxo-3H-pyridin-5-yl)acetamide
CID 57246209
N-[(Z)-3-aminobut-2-enylidene]acetamide
CID 88944313
4-Amino-2-ethyliminopent-3-enamide
CID 145380521
4-Amino-2-methyliminopent-3-enamide
CID 147756320

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-pent-2-en-2-yl]iminoacetamide?
The IUPAC name of 2-[(Z)-pent-2-en-2-yl]iminoacetamide (CID 142077923) is 2-[(Z)-pent-2-en-2-yl]iminoacetamide.
What is the SMILES notation for 2-[(Z)-pent-2-en-2-yl]iminoacetamide?
The canonical SMILES for 2-[(Z)-pent-2-en-2-yl]iminoacetamide is CC/C=C(C)\N=C\C(N)=O.
What is the InChIKey of 2-[(Z)-pent-2-en-2-yl]iminoacetamide?
The InChIKey is PWMULFCMQRKSOX-QUNSIMLLSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-4-6(2)9-5-7(8)10/h4-5H,3H2,1-2H3,(H2,8,10)/b6-4-,9-5+.
What are the key properties of 2-[(Z)-pent-2-en-2-yl]iminoacetamide?
2-[(Z)-pent-2-en-2-yl]iminoacetamide has a molecular weight of 140.19 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-pent-2-en-2-yl]iminoacetamide is sourced from PubChem (CID 142077923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).