N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine

C10H13N — CID 70417807

IUPACN-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine
SMILESCC=C1C=CC=CC1/N=C/C
InChIInChI=1S/C10H13N/c1-3-9-7-5-6-8-10(9)11-4-2/h3-8,10H,1-2H3/b9-3?,11-4+
InChIKeyDNTDJTPPOSKEAG-ZTBAJKOFSA-N
MW147.22 g/mol
LogP2.52
Rot. Bonds1

About N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine

N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine (PubChem CID 70417807) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine.

Molecular Properties

Compound NameN-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine
PubChem CID70417807
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine
SMILESCC=C1C=CC=CC1/N=C/C
InChIInChI=1S/C10H13N/c1-3-9-7-5-6-8-10(9)11-4-2/h3-8,10H,1-2H3/b9-3?,11-4+
InChIKeyDNTDJTPPOSKEAG-ZTBAJKOFSA-N
XLogP2.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.52
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

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(7aS)-5-fluoro-3-methyl-7aH-indole
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N-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine
CID 142913200
N-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine
CID 142913204
N-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine
CID 142913457
N-[(3E,5Z)-5-chloro-6-fluoro-3-methylocta-3,5,7-trien-2-yl]ethanimine
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CID 144407789
7aH-cyclopenta[b]pyridine
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CID 20772220

Frequently Asked Questions

What is the IUPAC name of N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine?
The IUPAC name of N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine (CID 70417807) is N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine.
What is the SMILES notation for N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine?
The canonical SMILES for N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine is CC=C1C=CC=CC1/N=C/C.
What is the InChIKey of N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine?
The InChIKey is DNTDJTPPOSKEAG-ZTBAJKOFSA-N. The full InChI is InChI=1S/C10H13N/c1-3-9-7-5-6-8-10(9)11-4-2/h3-8,10H,1-2H3/b9-3?,11-4+.
What are the key properties of N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine?
N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine has a molecular weight of 147.22 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine is sourced from PubChem (CID 70417807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).