6-methylidene-N-propan-2-ylcyclohexa-2,4-dien-1-imine

C10H13N — CID 131974208

IUPAC6-methylidene-N-propan-2-ylcyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=C/C1=N\C(C)C
InChIInChI=1S/C10H13N/c1-8(2)11-10-7-5-4-6-9(10)3/h4-8H,3H2,1-2H3/b11-10+
InChIKeyMCMIOSGWUGMMOY-ZHACJKMWSA-N
MW147.22 g/mol
LogP2.52
Rot. Bonds1

About 6-methylidene-N-propan-2-ylcyclohexa-2,4-dien-1-imine

6-methylidene-N-propan-2-ylcyclohexa-2,4-dien-1-imine (PubChem CID 131974208) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 6-methylidene-N-propan-2-ylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-methylidene-N-propan-2-ylcyclohexa-2,4-dien-1-imine
PubChem CID131974208
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name6-methylidene-N-propan-2-ylcyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=C/C1=N\C(C)C
InChIInChI=1S/C10H13N/c1-8(2)11-10-7-5-4-6-9(10)3/h4-8H,3H2,1-2H3/b11-10+
InChIKeyMCMIOSGWUGMMOY-ZHACJKMWSA-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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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-N-propan-2-ylcyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-methylidene-N-propan-2-ylcyclohexa-2,4-dien-1-imine (CID 131974208) is 6-methylidene-N-propan-2-ylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-methylidene-N-propan-2-ylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-methylidene-N-propan-2-ylcyclohexa-2,4-dien-1-imine is C=C1C=CC=C/C1=N\C(C)C.
What is the InChIKey of 6-methylidene-N-propan-2-ylcyclohexa-2,4-dien-1-imine?
The InChIKey is MCMIOSGWUGMMOY-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H13N/c1-8(2)11-10-7-5-4-6-9(10)3/h4-8H,3H2,1-2H3/b11-10+.
What are the key properties of 6-methylidene-N-propan-2-ylcyclohexa-2,4-dien-1-imine?
6-methylidene-N-propan-2-ylcyclohexa-2,4-dien-1-imine 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 6-methylidene-N-propan-2-ylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 131974208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).