N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide

C11H13NO — CID 122392912

IUPACN-methyl-N-[(E)-3-phenylprop-2-enyl]formamide
SMILESCN(C=O)C/C=C/c1ccccc1
InChIInChI=1S/C11H13NO/c1-12(10-13)9-5-8-11-6-3-2-4-7-11/h2-8,10H,9H2,1H3/b8-5+
InChIKeyCIAUPBFSVQYZPL-VMPITWQZSA-N
MW175.23 g/mol
LogP1.79
Rot. Bonds4

About N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide

N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide (PubChem CID 122392912) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[(E)-3-phenylprop-2-enyl]formamide
PubChem CID122392912
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC NameN-methyl-N-[(E)-3-phenylprop-2-enyl]formamide
SMILESCN(C=O)C/C=C/c1ccccc1
InChIInChI=1S/C11H13NO/c1-12(10-13)9-5-8-11-6-3-2-4-7-11/h2-8,10H,9H2,1H3/b8-5+
InChIKeyCIAUPBFSVQYZPL-VMPITWQZSA-N
XLogP1.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-formyl-N-[(E)-3-phenylprop-2-enyl]formamide
CID 10702807
1,2-dimethyl-1-[(E)-3-phenylprop-2-enyl]hydrazine
CID 137382786
N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine
CID 139724022
dimethylamino (E)-5-phenylpent-4-enoate
CID 174423096
(Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 54603104
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
N,N-dimethylmethanamine;stilbene
CID 174368184
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859
ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate
CID 76932222
N'-ethyl-N,N-dimethyl-N'-(3-phenylprop-2-enyl)ethane-1,2-diamine
CID 2845846
benzene;but-1-enylbenzene
CID 157481332

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide?
The IUPAC name of N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide (CID 122392912) is N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide.
What is the SMILES notation for N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide?
The canonical SMILES for N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide is CN(C=O)C/C=C/c1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide?
The InChIKey is CIAUPBFSVQYZPL-VMPITWQZSA-N. The full InChI is InChI=1S/C11H13NO/c1-12(10-13)9-5-8-11-6-3-2-4-7-11/h2-8,10H,9H2,1H3/b8-5+.
What are the key properties of N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide?
N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide has a molecular weight of 175.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide is sourced from PubChem (CID 122392912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).