2-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]propanamide

C8H14N2O — CID 143280028

IUPAC2-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]propanamide
SMILESC=N/C=C(\C)NC(=O)C(C)C
InChIInChI=1S/C8H14N2O/c1-6(2)8(11)10-7(3)5-9-4/h5-6H,4H2,1-3H3,(H,10,11)/b7-5+
InChIKeyFQXCYWKDBCUNAB-FNORWQNLSA-N
MW154.21 g/mol
LogP1.32
Rot. Bonds3

About 2-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]propanamide

2-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]propanamide (PubChem CID 143280028) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]propanamide
PubChem CID143280028
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]propanamide
SMILESC=N/C=C(\C)NC(=O)C(C)C
InChIInChI=1S/C8H14N2O/c1-6(2)8(11)10-7(3)5-9-4/h5-6H,4H2,1-3H3,(H,10,11)/b7-5+
InChIKeyFQXCYWKDBCUNAB-FNORWQNLSA-N
XLogP1.32
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.32
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

6-Isopropyl-3-methylpyrazin-2-ol
CID 12051520
6-Isopropylpyrazin-2-ol
CID 45788300
N-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide
CID 89156140
2,2-dimethyl-N-(3-methyliminoprop-1-en-2-yl)propanamide
CID 134566878
N-[(E)-1-amino-3-iminoprop-1-en-2-yl]-2-methylpropanamide
CID 139357874
molecular hydrogen;6-propan-2-yl-1H-pyrazin-2-one
CID 144079068
N-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]propanamide
CID 144540773
N-(3-iminoprop-1-en-2-yl)-2,2-dimethylpropanamide
CID 147769981
N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide;molecular hydrogen
CID 170752207
3-methanimidoyl-6-propan-2-yl-1H-pyrazin-2-one
CID 156711018
N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide
CID 170752208

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]propanamide (CID 143280028) is 2-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]propanamide is C=N/C=C(\C)NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]propanamide?
The InChIKey is FQXCYWKDBCUNAB-FNORWQNLSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)8(11)10-7(3)5-9-4/h5-6H,4H2,1-3H3,(H,10,11)/b7-5+.
What are the key properties of 2-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]propanamide?
2-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]propanamide has a molecular weight of 154.21 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]propanamide is sourced from PubChem (CID 143280028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).