(E)-3-(4-anilinophenyl)prop-2-enal

C15H13NO — CID 22717037

IUPAC(E)-3-(4-anilinophenyl)prop-2-enal
SMILESO=C/C=C/c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C15H13NO/c17-12-4-5-13-8-10-15(11-9-13)16-14-6-2-1-3-7-14/h1-12,16H/b5-4+
InChIKeyQJZZPTDQEFQAPI-SNAWJCMRSA-N
MW223.28 g/mol
LogP3.64
Rot. Bonds4

About (E)-3-(4-anilinophenyl)prop-2-enal

(E)-3-(4-anilinophenyl)prop-2-enal (PubChem CID 22717037) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is (E)-3-(4-anilinophenyl)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(4-anilinophenyl)prop-2-enal
PubChem CID22717037
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name(E)-3-(4-anilinophenyl)prop-2-enal
SMILESO=C/C=C/c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C15H13NO/c17-12-4-5-13-8-10-15(11-9-13)16-14-6-2-1-3-7-14/h1-12,16H/b5-4+
InChIKeyQJZZPTDQEFQAPI-SNAWJCMRSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

alumane;(E)-3-phenylprop-2-enal
CID 173462374
4-[(E)-2-chloroethenyl]-N-phenylaniline
CID 22717025
(E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal
CID 10427370
(E)-3-phenylprop-2-enal;[(E)-prop-1-enyl]benzene
CID 22568680
phenol;(E)-3-phenylprop-2-enal
CID 159568112
ethane-1,2-diol;(Z)-3-phenylprop-2-enal
CID 155351611
(2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one
CID 171377751
4-ethenyl-N-phenylaniline
CID 21478062
3-phenylprop-2-enal;thiophene
CID 157433111
3-phenylprop-2-enal;propan-2-ol
CID 158457423
CID 173401175
CID 173401175
4-(4-anilinophenyl)but-3-enenitrile
CID 90791121

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-anilinophenyl)prop-2-enal?
The IUPAC name of (E)-3-(4-anilinophenyl)prop-2-enal (CID 22717037) is (E)-3-(4-anilinophenyl)prop-2-enal.
What is the SMILES notation for (E)-3-(4-anilinophenyl)prop-2-enal?
The canonical SMILES for (E)-3-(4-anilinophenyl)prop-2-enal is O=C/C=C/c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-anilinophenyl)prop-2-enal?
The InChIKey is QJZZPTDQEFQAPI-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H13NO/c17-12-4-5-13-8-10-15(11-9-13)16-14-6-2-1-3-7-14/h1-12,16H/b5-4+.
What are the key properties of (E)-3-(4-anilinophenyl)prop-2-enal?
(E)-3-(4-anilinophenyl)prop-2-enal has a molecular weight of 223.28 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-anilinophenyl)prop-2-enal is sourced from PubChem (CID 22717037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).