(E)-N-methyl-3-(pent-2-enylideneamino)prop-2-enamide

C9H14N2O — CID 143063162

IUPAC(E)-N-methyl-3-(pent-2-enylideneamino)prop-2-enamide
SMILESCCC=C/C=N/C=C/C(=O)NC
InChIInChI=1S/C9H14N2O/c1-3-4-5-7-11-8-6-9(12)10-2/h4-8H,3H2,1-2H3,(H,10,12)/b5-4?,8-6+,11-7+
InChIKeyGVCKXRZEVLNBCY-RENBZFDBSA-N
MW166.22 g/mol
LogP1.28
Rot. Bonds4

About (E)-N-methyl-3-(pent-2-enylideneamino)prop-2-enamide

(E)-N-methyl-3-(pent-2-enylideneamino)prop-2-enamide (PubChem CID 143063162) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (E)-N-methyl-3-(pent-2-enylideneamino)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-(pent-2-enylideneamino)prop-2-enamide
PubChem CID143063162
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(E)-N-methyl-3-(pent-2-enylideneamino)prop-2-enamide
SMILESCCC=C/C=N/C=C/C(=O)NC
InChIInChI=1S/C9H14N2O/c1-3-4-5-7-11-8-6-9(12)10-2/h4-8H,3H2,1-2H3,(H,10,12)/b5-4?,8-6+,11-7+
InChIKeyGVCKXRZEVLNBCY-RENBZFDBSA-N
XLogP1.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.28
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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Related Compounds

(Z,4Z)-N-[(E)-but-1-enyl]-4-methoxyiminobut-2-enamide
CID 88556072
(E)-3-(ethylideneamino)-N-methylprop-2-enamide
CID 90249349
(Z)-3-(ethylideneamino)-N-methylpent-2-enamide
CID 91148463
(2E)-4-(ethenyliminomethyl)-N,3-dimethylpenta-2,4-dienamide
CID 145198431
(Z)-3-(ethylideneamino)-N-methylprop-2-enamide
CID 156140611
1H-pyridin-2-one;3H-pyridin-2-one
CID 160850098
2-methylidene-3H-pyridine;1H-pyridin-2-one
CID 161392799
(E)-N-[(1E,3Z)-4-propan-2-ylhexa-1,3,5-trienyl]-3-(prop-2-enylideneamino)prop-2-enamide
CID 144222079

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(pent-2-enylideneamino)prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-(pent-2-enylideneamino)prop-2-enamide (CID 143063162) is (E)-N-methyl-3-(pent-2-enylideneamino)prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-(pent-2-enylideneamino)prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-(pent-2-enylideneamino)prop-2-enamide is CCC=C/C=N/C=C/C(=O)NC.
What is the InChIKey of (E)-N-methyl-3-(pent-2-enylideneamino)prop-2-enamide?
The InChIKey is GVCKXRZEVLNBCY-RENBZFDBSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-4-5-7-11-8-6-9(12)10-2/h4-8H,3H2,1-2H3,(H,10,12)/b5-4?,8-6+,11-7+.
What are the key properties of (E)-N-methyl-3-(pent-2-enylideneamino)prop-2-enamide?
(E)-N-methyl-3-(pent-2-enylideneamino)prop-2-enamide has a molecular weight of 166.22 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(pent-2-enylideneamino)prop-2-enamide is sourced from PubChem (CID 143063162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).