(E)-N-(4-methoxyphenyl)pent-3-en-2-imine

C12H15NO — CID 134838595

IUPAC(E)-N-(4-methoxyphenyl)pent-3-en-2-imine
SMILESC/C=C/C(C)=N/c1ccc(OC)cc1
InChIInChI=1S/C12H15NO/c1-4-5-10(2)13-11-6-8-12(14-3)9-7-11/h4-9H,1-3H3/b5-4+,13-10+
InChIKeyUKRQHRLUQLLYAY-VBJRVQAISA-N
MW189.26 g/mol
LogP3.36
Rot. Bonds3

About (E)-N-(4-methoxyphenyl)pent-3-en-2-imine

(E)-N-(4-methoxyphenyl)pent-3-en-2-imine (PubChem CID 134838595) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (E)-N-(4-methoxyphenyl)pent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-(4-methoxyphenyl)pent-3-en-2-imine
PubChem CID134838595
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(E)-N-(4-methoxyphenyl)pent-3-en-2-imine
SMILESC/C=C/C(C)=N/c1ccc(OC)cc1
InChIInChI=1S/C12H15NO/c1-4-5-10(2)13-11-6-8-12(14-3)9-7-11/h4-9H,1-3H3/b5-4+,13-10+
InChIKeyUKRQHRLUQLLYAY-VBJRVQAISA-N
XLogP3.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)butan-2-imine
CID 15683591
2-(4-methoxyphenyl)guanidine;hydrochloride
CID 22594132
1,1,1-trifluoro-N-(4-methoxyphenyl)propan-2-imine
CID 14116536
(4-methoxyphenyl)-methyldiazene
CID 20589170
1,2,3-tris(4-methoxyphenyl)guanidine
CID 12737122
N-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanimine
CID 139246217
N'-(4-methoxyphenyl)propanimidamide
CID 63174454
5,5,5-trifluoro-N-(4-methoxyphenyl)pent-3-yn-2-imine
CID 90221391
1-(2-fluorophenyl)-N-(4-methoxyphenyl)ethanimine
CID 11299513
N-(4-methoxyphenyl)hexan-3-imine
CID 134897334
2-ethylidene-1-(4-methoxyphenyl)pent-3-en-1-one
CID 123773759
2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride
CID 86064407

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methoxyphenyl)pent-3-en-2-imine?
The IUPAC name of (E)-N-(4-methoxyphenyl)pent-3-en-2-imine (CID 134838595) is (E)-N-(4-methoxyphenyl)pent-3-en-2-imine.
What is the SMILES notation for (E)-N-(4-methoxyphenyl)pent-3-en-2-imine?
The canonical SMILES for (E)-N-(4-methoxyphenyl)pent-3-en-2-imine is C/C=C/C(C)=N/c1ccc(OC)cc1.
What is the InChIKey of (E)-N-(4-methoxyphenyl)pent-3-en-2-imine?
The InChIKey is UKRQHRLUQLLYAY-VBJRVQAISA-N. The full InChI is InChI=1S/C12H15NO/c1-4-5-10(2)13-11-6-8-12(14-3)9-7-11/h4-9H,1-3H3/b5-4+,13-10+.
What are the key properties of (E)-N-(4-methoxyphenyl)pent-3-en-2-imine?
(E)-N-(4-methoxyphenyl)pent-3-en-2-imine has a molecular weight of 189.26 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methoxyphenyl)pent-3-en-2-imine is sourced from PubChem (CID 134838595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).