1-phenyl-N-prop-2-enoxyethenamine

C11H13NO — CID 57096615

IUPAC1-phenyl-N-prop-2-enoxyethenamine
SMILESC=CCONC(=C)c1ccccc1
InChIInChI=1S/C11H13NO/c1-3-9-13-12-10(2)11-7-5-4-6-8-11/h3-8,12H,1-2,9H2
InChIKeyYSYXDZNWVHLPQP-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.36
Rot. Bonds5

About 1-phenyl-N-prop-2-enoxyethenamine

1-phenyl-N-prop-2-enoxyethenamine (PubChem CID 57096615) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-phenyl-N-prop-2-enoxyethenamine.

Molecular Properties

Compound Name1-phenyl-N-prop-2-enoxyethenamine
PubChem CID57096615
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-phenyl-N-prop-2-enoxyethenamine
SMILESC=CCONC(=C)c1ccccc1
InChIInChI=1S/C11H13NO/c1-3-9-13-12-10(2)11-7-5-4-6-8-11/h3-8,12H,1-2,9H2
InChIKeyYSYXDZNWVHLPQP-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzyl(methoxy)amine
CID 11815413
Benzyl(ethoxy)amine
CID 18794272
Benzyl(methoxy)amine hydrochloride
CID 71358116
Ethoxy[(4-fluorophenyl)methyl]amine
CID 12146891
Benzyl(2-methylpropoxy)amine hydrochloride
CID 121552992
(1Z)-1-phenylbuta-1,3-dien-1-amine
CID 10374575
Benzenemethanamine, N-(2-propen-1-yloxy)-
CID 10997373
Phenylethyleneamine
CID 18522818
Phenyloxazine
CID 53643691
1-phenyl-N-propan-2-yloxymethanamine
CID 53771755
1-phenyl-N-propoxymethanamine
CID 53895948
Amino-phenylpropene
CID 69723665

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-prop-2-enoxyethenamine?
The IUPAC name of 1-phenyl-N-prop-2-enoxyethenamine (CID 57096615) is 1-phenyl-N-prop-2-enoxyethenamine.
What is the SMILES notation for 1-phenyl-N-prop-2-enoxyethenamine?
The canonical SMILES for 1-phenyl-N-prop-2-enoxyethenamine is C=CCONC(=C)c1ccccc1.
What is the InChIKey of 1-phenyl-N-prop-2-enoxyethenamine?
The InChIKey is YSYXDZNWVHLPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-9-13-12-10(2)11-7-5-4-6-8-11/h3-8,12H,1-2,9H2.
What are the key properties of 1-phenyl-N-prop-2-enoxyethenamine?
1-phenyl-N-prop-2-enoxyethenamine has a molecular weight of 175.23 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-prop-2-enoxyethenamine is sourced from PubChem (CID 57096615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).