3-methyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine

C11H13N — CID 142851442

IUPAC3-methyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC(C)=C/C1=N\C=C/C
InChIInChI=1S/C11H13N/c1-4-7-12-11-8-9(2)5-6-10(11)3/h4-8H,3H2,1-2H3/b7-4-,12-11+
InChIKeyGNNFMMWDCOFEJF-OFBTUZCMSA-N
MW159.23 g/mol
LogP3.03
Rot. Bonds1

About 3-methyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine

3-methyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine (PubChem CID 142851442) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-methyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name3-methyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine
PubChem CID142851442
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name3-methyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC(C)=C/C1=N\C=C/C
InChIInChI=1S/C11H13N/c1-4-7-12-11-8-9(2)5-6-10(11)3/h4-8H,3H2,1-2H3/b7-4-,12-11+
InChIKeyGNNFMMWDCOFEJF-OFBTUZCMSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

4-methyl-2-N-[(Z)-prop-1-enyl]cyclohexa-3,5-diene-1,2-diimine
CID 118361880
(6Z,8Z,10Z)-10-ethylidene-7-methyl-5-methylidenebenzo[8]annulene
CID 145229339
methane;2-methyl-5-methylidenecyclopenta-1,3-diene
CID 142180985
3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine
CID 144801133
4-methyl-2-methylidene-1-[(Z)-prop-1-enyl]pyridine
CID 153375431
(2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine
CID 89441659
copper bis((6Z)-4-methyl-6-oxidoiminocyclohexa-2,4-dien-1-one)
CID 131881800
(6Z)-6-ethylidene-2-methylcyclohexa-1,3-diene
CID 163873761
acetylene;3-methyl-5-methylidene-2-(methylideneamino)-N-[(Z)-prop-1-enyl]cyclopent-2-en-1-imine
CID 143379896
5-methyl-2-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]aniline
CID 168937384
2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 143498553
N'-methyl-N-(2-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide
CID 129181532

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine?
The IUPAC name of 3-methyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine (CID 142851442) is 3-methyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 3-methyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine?
The canonical SMILES for 3-methyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine is C=C1C=CC(C)=C/C1=N\C=C/C.
What is the InChIKey of 3-methyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine?
The InChIKey is GNNFMMWDCOFEJF-OFBTUZCMSA-N. The full InChI is InChI=1S/C11H13N/c1-4-7-12-11-8-9(2)5-6-10(11)3/h4-8H,3H2,1-2H3/b7-4-,12-11+.
What are the key properties of 3-methyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine?
3-methyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine has a molecular weight of 159.23 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 142851442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).