4-methyl-2-N-[(Z)-prop-1-enyl]cyclohexa-3,5-diene-1,2-diimine

C10H12N2 — CID 118361880

IUPAC4-methyl-2-N-[(Z)-prop-1-enyl]cyclohexa-3,5-diene-1,2-diimine
SMILES[H]/N=C1\C=CC(C)=C\C1=N/C=C\C
InChIInChI=1S/C10H12N2/c1-3-6-12-10-7-8(2)4-5-9(10)11/h3-7,11H,1-2H3/b6-3-,11-9+,12-10+
InChIKeyCBGITCLLBPXPSQ-BZHZJEOTSA-N
MW160.22 g/mol
LogP2.50
Rot. Bonds1

About 4-methyl-2-N-[(Z)-prop-1-enyl]cyclohexa-3,5-diene-1,2-diimine

4-methyl-2-N-[(Z)-prop-1-enyl]cyclohexa-3,5-diene-1,2-diimine (PubChem CID 118361880) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-methyl-2-N-[(Z)-prop-1-enyl]cyclohexa-3,5-diene-1,2-diimine.

Molecular Properties

Compound Name4-methyl-2-N-[(Z)-prop-1-enyl]cyclohexa-3,5-diene-1,2-diimine
PubChem CID118361880
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name4-methyl-2-N-[(Z)-prop-1-enyl]cyclohexa-3,5-diene-1,2-diimine
SMILES[H]/N=C1\C=CC(C)=C\C1=N/C=C\C
InChIInChI=1S/C10H12N2/c1-3-6-12-10-7-8(2)4-5-9(10)11/h3-7,11H,1-2H3/b6-3-,11-9+,12-10+
InChIKeyCBGITCLLBPXPSQ-BZHZJEOTSA-N
XLogP2.50
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 15960347
(1Z)-1-Benzazocine
CID 17846319
5H-Indole
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2H-1,4-Benzodiazepine
CID 21162934
Pyrrolo[2,3-f]indole
CID 21252022
Dibenz[b,f]azocine
CID 23633137
1-[(7E)-7-fluoro-6-methylidene-5H-azocin-2-yl]ethanimine
CID 90725446
(3E)-3-fluoro-4-[[(5Z)-6-methyl-3-methylidene-4-propan-2-ylideneocta-5,7-dien-2-ylidene]amino]buta-1,3-dien-2-amine
CID 130336733
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424
(1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine
CID 155181207
(5Z)-3-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine
CID 164876700
(5E)-4-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine
CID 164876767

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-[(Z)-prop-1-enyl]cyclohexa-3,5-diene-1,2-diimine?
The IUPAC name of 4-methyl-2-N-[(Z)-prop-1-enyl]cyclohexa-3,5-diene-1,2-diimine (CID 118361880) is 4-methyl-2-N-[(Z)-prop-1-enyl]cyclohexa-3,5-diene-1,2-diimine.
What is the SMILES notation for 4-methyl-2-N-[(Z)-prop-1-enyl]cyclohexa-3,5-diene-1,2-diimine?
The canonical SMILES for 4-methyl-2-N-[(Z)-prop-1-enyl]cyclohexa-3,5-diene-1,2-diimine is [H]/N=C1\C=CC(C)=C\C1=N/C=C\C.
What is the InChIKey of 4-methyl-2-N-[(Z)-prop-1-enyl]cyclohexa-3,5-diene-1,2-diimine?
The InChIKey is CBGITCLLBPXPSQ-BZHZJEOTSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-6-12-10-7-8(2)4-5-9(10)11/h3-7,11H,1-2H3/b6-3-,11-9+,12-10+.
What are the key properties of 4-methyl-2-N-[(Z)-prop-1-enyl]cyclohexa-3,5-diene-1,2-diimine?
4-methyl-2-N-[(Z)-prop-1-enyl]cyclohexa-3,5-diene-1,2-diimine has a molecular weight of 160.22 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-[(Z)-prop-1-enyl]cyclohexa-3,5-diene-1,2-diimine is sourced from PubChem (CID 118361880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).