N-phenylpent-3-en-1-imine

C11H13N — CID 91296935

IUPACN-phenylpent-3-en-1-imine
SMILESCC=CC/C=N/c1ccccc1
InChIInChI=1S/C11H13N/c1-2-3-7-10-12-11-8-5-4-6-9-11/h2-6,8-10H,7H2,1H3/b3-2?,12-10+
InChIKeyXYTODOLIRFLWOO-PCKPROAVSA-N
MW159.23 g/mol
LogP3.36
Rot. Bonds3

About N-phenylpent-3-en-1-imine

N-phenylpent-3-en-1-imine (PubChem CID 91296935) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is N-phenylpent-3-en-1-imine.

Molecular Properties

Compound NameN-phenylpent-3-en-1-imine
PubChem CID91296935
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC NameN-phenylpent-3-en-1-imine
SMILESCC=CC/C=N/c1ccccc1
InChIInChI=1S/C11H13N/c1-2-3-7-10-12-11-8-5-4-6-9-11/h2-6,8-10H,7H2,1H3/b3-2?,12-10+
InChIKeyXYTODOLIRFLWOO-PCKPROAVSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-phenylhex-3-en-1-imine
CID 101317627
(E)-N,N'-diphenylpent-2-ene-1,5-diimine
CID 5473746
3-methyl-N-phenylbutan-1-imine
CID 14418149
ethane;N-phenylethanimine
CID 91127812
4-phenyliminobutanal
CID 162303363
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859
bis[(Z)-but-2-enyl]-phenylphosphane
CID 140692834
N-methyl-N'-phenylethane-1,2-diimine
CID 21014566
tris(1-deuterio-N-phenylmethanimidic acid);propane
CID 160628250
N-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide
CID 124927893
5-(4-methylphenyl)iminopent-2-enal
CID 57164496
[(1E,4Z)-hexa-1,4-dienyl]-triphenylsilane
CID 10903938

Frequently Asked Questions

What is the IUPAC name of N-phenylpent-3-en-1-imine?
The IUPAC name of N-phenylpent-3-en-1-imine (CID 91296935) is N-phenylpent-3-en-1-imine.
What is the SMILES notation for N-phenylpent-3-en-1-imine?
The canonical SMILES for N-phenylpent-3-en-1-imine is CC=CC/C=N/c1ccccc1.
What is the InChIKey of N-phenylpent-3-en-1-imine?
The InChIKey is XYTODOLIRFLWOO-PCKPROAVSA-N. The full InChI is InChI=1S/C11H13N/c1-2-3-7-10-12-11-8-5-4-6-9-11/h2-6,8-10H,7H2,1H3/b3-2?,12-10+.
What are the key properties of N-phenylpent-3-en-1-imine?
N-phenylpent-3-en-1-imine has a molecular weight of 159.23 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylpent-3-en-1-imine is sourced from PubChem (CID 91296935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).