acetamide;(Z)-N-methyl-1-[(Z)-prop-2-enylideneamino]prop-1-en-1-amine

C9H17N3O — CID 171563166

IUPACacetamide;(Z)-N-methyl-1-[(Z)-prop-2-enylideneamino]prop-1-en-1-amine
SMILESC=C/C=N\C(=C/C)NC.CC(N)=O
InChIInChI=1S/C7H12N2.C2H5NO/c1-4-6-9-7(5-2)8-3;1-2(3)4/h4-6,8H,1H2,2-3H3;1H3,(H2,3,4)/b7-5-,9-6-;
InChIKeyCKBOGCZMPXTFSU-ORYMYBSFSA-N
MW183.25 g/mol
LogP0.82
Rot. Bonds3

About acetamide;(Z)-N-methyl-1-[(Z)-prop-2-enylideneamino]prop-1-en-1-amine

acetamide;(Z)-N-methyl-1-[(Z)-prop-2-enylideneamino]prop-1-en-1-amine (PubChem CID 171563166) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is acetamide;(Z)-N-methyl-1-[(Z)-prop-2-enylideneamino]prop-1-en-1-amine.

Molecular Properties

Compound Nameacetamide;(Z)-N-methyl-1-[(Z)-prop-2-enylideneamino]prop-1-en-1-amine
PubChem CID171563166
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Nameacetamide;(Z)-N-methyl-1-[(Z)-prop-2-enylideneamino]prop-1-en-1-amine
SMILESC=C/C=N\C(=C/C)NC.CC(N)=O
InChIInChI=1S/C7H12N2.C2H5NO/c1-4-6-9-7(5-2)8-3;1-2(3)4/h4-6,8H,1H2,2-3H3;1H3,(H2,3,4)/b7-5-,9-6-;
InChIKeyCKBOGCZMPXTFSU-ORYMYBSFSA-N
XLogP0.82
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1H-pyrimidin-2-one
CID 53923057
ethane;N-[(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dienyl]acetamide
CID 144219551
acetamide;(Z)-N-[(Z)-prop-1-enyl]but-2-en-1-imine
CID 144519306
acetamide;1H-pyrimidin-2-one
CID 157074749
Acetamide;1,2-dihydropyrimidine
CID 160505698
N-(1,2-dihydropyrimidin-2-yl)acetamide
CID 173468816
N-[(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dienyl]acetamide
CID 144219552

Frequently Asked Questions

What is the IUPAC name of acetamide;(Z)-N-methyl-1-[(Z)-prop-2-enylideneamino]prop-1-en-1-amine?
The IUPAC name of acetamide;(Z)-N-methyl-1-[(Z)-prop-2-enylideneamino]prop-1-en-1-amine (CID 171563166) is acetamide;(Z)-N-methyl-1-[(Z)-prop-2-enylideneamino]prop-1-en-1-amine.
What is the SMILES notation for acetamide;(Z)-N-methyl-1-[(Z)-prop-2-enylideneamino]prop-1-en-1-amine?
The canonical SMILES for acetamide;(Z)-N-methyl-1-[(Z)-prop-2-enylideneamino]prop-1-en-1-amine is C=C/C=N\C(=C/C)NC.CC(N)=O.
What is the InChIKey of acetamide;(Z)-N-methyl-1-[(Z)-prop-2-enylideneamino]prop-1-en-1-amine?
The InChIKey is CKBOGCZMPXTFSU-ORYMYBSFSA-N. The full InChI is InChI=1S/C7H12N2.C2H5NO/c1-4-6-9-7(5-2)8-3;1-2(3)4/h4-6,8H,1H2,2-3H3;1H3,(H2,3,4)/b7-5-,9-6-;.
What are the key properties of acetamide;(Z)-N-methyl-1-[(Z)-prop-2-enylideneamino]prop-1-en-1-amine?
acetamide;(Z)-N-methyl-1-[(Z)-prop-2-enylideneamino]prop-1-en-1-amine has a molecular weight of 183.25 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;(Z)-N-methyl-1-[(Z)-prop-2-enylideneamino]prop-1-en-1-amine is sourced from PubChem (CID 171563166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).