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

C11H11NO2 — CID 10702807

IUPACN-formyl-N-[(E)-3-phenylprop-2-enyl]formamide
SMILESO=CN(C=O)C/C=C/c1ccccc1
InChIInChI=1S/C11H11NO2/c13-9-12(10-14)8-4-7-11-5-2-1-3-6-11/h1-7,9-10H,8H2/b7-4+
InChIKeyHELAKQIJTHQTAJ-QPJJXVBHSA-N
MW189.21 g/mol
LogP1.31
Rot. Bonds5

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

N-formyl-N-[(E)-3-phenylprop-2-enyl]formamide (PubChem CID 10702807) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-formyl-N-[(E)-3-phenylprop-2-enyl]formamide.

Molecular Properties

Compound NameN-formyl-N-[(E)-3-phenylprop-2-enyl]formamide
PubChem CID10702807
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC NameN-formyl-N-[(E)-3-phenylprop-2-enyl]formamide
SMILESO=CN(C=O)C/C=C/c1ccccc1
InChIInChI=1S/C11H11NO2/c13-9-12(10-14)8-4-7-11-5-2-1-3-6-11/h1-7,9-10H,8H2/b7-4+
InChIKeyHELAKQIJTHQTAJ-QPJJXVBHSA-N
XLogP1.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide
CID 122392912
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
(E)-5-phenylpent-4-enal
CID 11105652
N,N-bis[(E)-3-phenylprop-2-enyl]benzamide
CID 139601549
N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine
CID 139724022
1,2-dimethyl-1-[(E)-3-phenylprop-2-enyl]hydrazine
CID 137382786
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859
(E)-N-chloro-3-phenyl-N-prop-2-enylprop-2-en-1-amine
CID 121011527
3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine
CID 3462468
(E)-5-phenylpent-4-enoic acid
CID 5370650
dimethylamino (E)-5-phenylpent-4-enoate
CID 174423096
(Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 54603104

Frequently Asked Questions

What is the IUPAC name of N-formyl-N-[(E)-3-phenylprop-2-enyl]formamide?
The IUPAC name of N-formyl-N-[(E)-3-phenylprop-2-enyl]formamide (CID 10702807) is N-formyl-N-[(E)-3-phenylprop-2-enyl]formamide.
What is the SMILES notation for N-formyl-N-[(E)-3-phenylprop-2-enyl]formamide?
The canonical SMILES for N-formyl-N-[(E)-3-phenylprop-2-enyl]formamide is O=CN(C=O)C/C=C/c1ccccc1.
What is the InChIKey of N-formyl-N-[(E)-3-phenylprop-2-enyl]formamide?
The InChIKey is HELAKQIJTHQTAJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H11NO2/c13-9-12(10-14)8-4-7-11-5-2-1-3-6-11/h1-7,9-10H,8H2/b7-4+.
What are the key properties of N-formyl-N-[(E)-3-phenylprop-2-enyl]formamide?
N-formyl-N-[(E)-3-phenylprop-2-enyl]formamide has a molecular weight of 189.21 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-[(E)-3-phenylprop-2-enyl]formamide is sourced from PubChem (CID 10702807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).