N-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine

C10H13N — CID 138690799

IUPACN-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine
SMILESC=NC(=C)C1=CC=C(C)CC1
InChIInChI=1S/C10H13N/c1-8-4-6-10(7-5-8)9(2)11-3/h4,6H,2-3,5,7H2,1H3
InChIKeyWMZJDTFUBPRTMX-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.87
Rot. Bonds2

About N-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine

N-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine (PubChem CID 138690799) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine.

Molecular Properties

Compound NameN-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine
PubChem CID138690799
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine
SMILESC=NC(=C)C1=CC=C(C)CC1
InChIInChI=1S/C10H13N/c1-8-4-6-10(7-5-8)9(2)11-3/h4,6H,2-3,5,7H2,1H3
InChIKeyWMZJDTFUBPRTMX-UHFFFAOYSA-N
XLogP2.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine?
The IUPAC name of N-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine (CID 138690799) is N-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine.
What is the SMILES notation for N-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine?
The canonical SMILES for N-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine is C=NC(=C)C1=CC=C(C)CC1.
What is the InChIKey of N-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine?
The InChIKey is WMZJDTFUBPRTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-8-4-6-10(7-5-8)9(2)11-3/h4,6H,2-3,5,7H2,1H3.
What are the key properties of N-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine?
N-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine has a molecular weight of 147.22 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine is sourced from PubChem (CID 138690799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).