N-[2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine

C10H13N — CID 126636256

IUPACN-[2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine
SMILESC=NC1=C(/C=C\C)CCC=C1
InChIInChI=1S/C10H13N/c1-3-6-9-7-4-5-8-10(9)11-2/h3,5-6,8H,2,4,7H2,1H3/b6-3-
InChIKeyWJKNPRBKERMORD-UTCJRWHESA-N
MW147.22 g/mol
LogP2.87
Rot. Bonds2

About N-[2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine

N-[2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine (PubChem CID 126636256) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-[2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine.

Molecular Properties

Compound NameN-[2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine
PubChem CID126636256
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-[2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine
SMILESC=NC1=C(/C=C\C)CCC=C1
InChIInChI=1S/C10H13N/c1-3-6-9-7-4-5-8-10(9)11-2/h3,5-6,8H,2,4,7H2,1H3/b6-3-
InChIKeyWJKNPRBKERMORD-UTCJRWHESA-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-[2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine?
The IUPAC name of N-[2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine (CID 126636256) is N-[2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine.
What is the SMILES notation for N-[2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine?
The canonical SMILES for N-[2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine is C=NC1=C(/C=C\C)CCC=C1.
What is the InChIKey of N-[2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine?
The InChIKey is WJKNPRBKERMORD-UTCJRWHESA-N. The full InChI is InChI=1S/C10H13N/c1-3-6-9-7-4-5-8-10(9)11-2/h3,5-6,8H,2,4,7H2,1H3/b6-3-.
What are the key properties of N-[2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine?
N-[2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]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-[2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine is sourced from PubChem (CID 126636256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).