N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylprop-1-enyl]methanimine

C11H13N — CID 138671769

IUPACN-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylprop-1-enyl]methanimine
SMILESC=N/C=C(C)\C=C1\C=CC=CC1
InChIInChI=1S/C11H13N/c1-10(9-12-2)8-11-6-4-3-5-7-11/h3-6,8-9H,2,7H2,1H3/b10-9-,11-8-
InChIKeyYTARJHVDGVJJCE-QCTTUENDSA-N
MW159.23 g/mol
LogP3.03
Rot. Bonds2

About N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylprop-1-enyl]methanimine

N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylprop-1-enyl]methanimine (PubChem CID 138671769) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylprop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylprop-1-enyl]methanimine
PubChem CID138671769
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC NameN-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylprop-1-enyl]methanimine
SMILESC=N/C=C(C)\C=C1\C=CC=CC1
InChIInChI=1S/C11H13N/c1-10(9-12-2)8-11-6-4-3-5-7-11/h3-6,8-9H,2,7H2,1H3/b10-9-,11-8-
InChIKeyYTARJHVDGVJJCE-QCTTUENDSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.03
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-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylprop-1-enyl]methanimine?
The IUPAC name of N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylprop-1-enyl]methanimine (CID 138671769) is N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylprop-1-enyl]methanimine.
What is the SMILES notation for N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylprop-1-enyl]methanimine?
The canonical SMILES for N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylprop-1-enyl]methanimine is C=N/C=C(C)\C=C1\C=CC=CC1.
What is the InChIKey of N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylprop-1-enyl]methanimine?
The InChIKey is YTARJHVDGVJJCE-QCTTUENDSA-N. The full InChI is InChI=1S/C11H13N/c1-10(9-12-2)8-11-6-4-3-5-7-11/h3-6,8-9H,2,7H2,1H3/b10-9-,11-8-.
What are the key properties of N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylprop-1-enyl]methanimine?
N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylprop-1-enyl]methanimine has a molecular weight of 159.23 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylprop-1-enyl]methanimine is sourced from PubChem (CID 138671769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).