(6Z)-6-[(Z)-2-methylbut-2-enylidene]cyclohexa-2,4-dien-1-imine

C11H13N — CID 121339395

IUPAC(6Z)-6-[(Z)-2-methylbut-2-enylidene]cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C\C1=C\C(C)=C/C
InChIInChI=1S/C11H13N/c1-3-9(2)8-10-6-4-5-7-11(10)12/h3-8,12H,1-2H3/b9-3-,10-8-,12-11+
InChIKeyUBVGTPMEQYQQJU-SHVBSYDQSA-N
MW159.23 g/mol
LogP3.02
Rot. Bonds1

About (6Z)-6-[(Z)-2-methylbut-2-enylidene]cyclohexa-2,4-dien-1-imine

(6Z)-6-[(Z)-2-methylbut-2-enylidene]cyclohexa-2,4-dien-1-imine (PubChem CID 121339395) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is (6Z)-6-[(Z)-2-methylbut-2-enylidene]cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-6-[(Z)-2-methylbut-2-enylidene]cyclohexa-2,4-dien-1-imine
PubChem CID121339395
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name(6Z)-6-[(Z)-2-methylbut-2-enylidene]cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C\C1=C\C(C)=C/C
InChIInChI=1S/C11H13N/c1-3-9(2)8-10-6-4-5-7-11(10)12/h3-8,12H,1-2H3/b9-3-,10-8-,12-11+
InChIKeyUBVGTPMEQYQQJU-SHVBSYDQSA-N
XLogP3.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
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 (6Z)-6-[(Z)-2-methylbut-2-enylidene]cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-6-[(Z)-2-methylbut-2-enylidene]cyclohexa-2,4-dien-1-imine (CID 121339395) is (6Z)-6-[(Z)-2-methylbut-2-enylidene]cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-6-[(Z)-2-methylbut-2-enylidene]cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-6-[(Z)-2-methylbut-2-enylidene]cyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=C\C1=C\C(C)=C/C.
What is the InChIKey of (6Z)-6-[(Z)-2-methylbut-2-enylidene]cyclohexa-2,4-dien-1-imine?
The InChIKey is UBVGTPMEQYQQJU-SHVBSYDQSA-N. The full InChI is InChI=1S/C11H13N/c1-3-9(2)8-10-6-4-5-7-11(10)12/h3-8,12H,1-2H3/b9-3-,10-8-,12-11+.
What are the key properties of (6Z)-6-[(Z)-2-methylbut-2-enylidene]cyclohexa-2,4-dien-1-imine?
(6Z)-6-[(Z)-2-methylbut-2-enylidene]cyclohexa-2,4-dien-1-imine has a molecular weight of 159.23 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(Z)-2-methylbut-2-enylidene]cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 121339395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).