(Z)-2-[(Z)-2-(ethylideneamino)prop-1-enyl]-N-methylpent-2-enamide

C11H18N2O — CID 162732345

IUPAC(Z)-2-[(Z)-2-(ethylideneamino)prop-1-enyl]-N-methylpent-2-enamide
SMILESC/C=N/C(C)=C\C(=C\CC)C(=O)NC
InChIInChI=1S/C11H18N2O/c1-5-7-10(11(14)12-4)8-9(3)13-6-2/h6-8H,5H2,1-4H3,(H,12,14)/b9-8-,10-7-,13-6+
InChIKeyHWEQUMCARRSVCG-MLLBYOFDSA-N
MW194.28 g/mol
LogP2.06
Rot. Bonds4

About (Z)-2-[(Z)-2-(ethylideneamino)prop-1-enyl]-N-methylpent-2-enamide

(Z)-2-[(Z)-2-(ethylideneamino)prop-1-enyl]-N-methylpent-2-enamide (PubChem CID 162732345) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (Z)-2-[(Z)-2-(ethylideneamino)prop-1-enyl]-N-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-2-[(Z)-2-(ethylideneamino)prop-1-enyl]-N-methylpent-2-enamide
PubChem CID162732345
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(Z)-2-[(Z)-2-(ethylideneamino)prop-1-enyl]-N-methylpent-2-enamide
SMILESC/C=N/C(C)=C\C(=C\CC)C(=O)NC
InChIInChI=1S/C11H18N2O/c1-5-7-10(11(14)12-4)8-9(3)13-6-2/h6-8H,5H2,1-4H3,(H,12,14)/b9-8-,10-7-,13-6+
InChIKeyHWEQUMCARRSVCG-MLLBYOFDSA-N
XLogP2.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.06
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-(3H-pyrrol-5-yl)-1H-pyridin-2-one
CID 58943847
2-[1-(ethylideneamino)ethenyl]-N-methylbut-2-enamide
CID 90725659
6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one
CID 90889194
(2E)-2-but-2-en-2-yl-N-[(E)-2-(propylideneamino)pent-1-enyl]hexa-2,4-dienamide
CID 123513841
(Z)-N-(3-aminobutyl)-2-methylidene-4-(methylideneamino)hex-3-enamide
CID 124181257
(Z)-N-methyl-2-methylidene-4-(methylideneamino)hex-3-enamide
CID 124181980
(Z)-N-ethyl-2-methylidene-4-(methylideneamino)hex-3-enamide
CID 124182391
(E,4Z)-N,2-dimethyl-4-[(methylideneamino)methylidene]hex-2-enamide
CID 130403843
(2Z)-N,4-dimethyl-2-(propan-2-ylideneamino)penta-2,4-dienamide
CID 131997142
(2E,4Z)-N,4-dimethyl-2-(methyliminomethyl)hexa-2,4-dienamide
CID 132076820
(E,2E)-N,4-dimethyl-2-[(methylideneamino)methylidene]hex-3-enamide
CID 134343485
(2E)-N-[(1E,3E,5Z)-5-[1-(but-3-enylideneamino)ethenyl]-4-chlorohepta-1,3,5-trienyl]-2-methylpenta-2,4-dienamide
CID 134504084

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(Z)-2-(ethylideneamino)prop-1-enyl]-N-methylpent-2-enamide?
The IUPAC name of (Z)-2-[(Z)-2-(ethylideneamino)prop-1-enyl]-N-methylpent-2-enamide (CID 162732345) is (Z)-2-[(Z)-2-(ethylideneamino)prop-1-enyl]-N-methylpent-2-enamide.
What is the SMILES notation for (Z)-2-[(Z)-2-(ethylideneamino)prop-1-enyl]-N-methylpent-2-enamide?
The canonical SMILES for (Z)-2-[(Z)-2-(ethylideneamino)prop-1-enyl]-N-methylpent-2-enamide is C/C=N/C(C)=C\C(=C\CC)C(=O)NC.
What is the InChIKey of (Z)-2-[(Z)-2-(ethylideneamino)prop-1-enyl]-N-methylpent-2-enamide?
The InChIKey is HWEQUMCARRSVCG-MLLBYOFDSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-7-10(11(14)12-4)8-9(3)13-6-2/h6-8H,5H2,1-4H3,(H,12,14)/b9-8-,10-7-,13-6+.
What are the key properties of (Z)-2-[(Z)-2-(ethylideneamino)prop-1-enyl]-N-methylpent-2-enamide?
(Z)-2-[(Z)-2-(ethylideneamino)prop-1-enyl]-N-methylpent-2-enamide has a molecular weight of 194.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(Z)-2-(ethylideneamino)prop-1-enyl]-N-methylpent-2-enamide is sourced from PubChem (CID 162732345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).