(3-methyl-2-nitrosocyclohexylidene)methylbenzene

C14H17NO — CID 57234852

IUPAC(3-methyl-2-nitrosocyclohexylidene)methylbenzene
SMILESCC1CCCC(=Cc2ccccc2)C1N=O
InChIInChI=1S/C14H17NO/c1-11-6-5-9-13(14(11)15-16)10-12-7-3-2-4-8-12/h2-4,7-8,10-11,14H,5-6,9H2,1H3
InChIKeyJGHSCDWPFWHKTN-UHFFFAOYSA-N
MW215.30 g/mol
LogP4.03
Rot. Bonds2

About (3-methyl-2-nitrosocyclohexylidene)methylbenzene

(3-methyl-2-nitrosocyclohexylidene)methylbenzene (PubChem CID 57234852) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (3-methyl-2-nitrosocyclohexylidene)methylbenzene.

Molecular Properties

Compound Name(3-methyl-2-nitrosocyclohexylidene)methylbenzene
PubChem CID57234852
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(3-methyl-2-nitrosocyclohexylidene)methylbenzene
SMILESCC1CCCC(=Cc2ccccc2)C1N=O
InChIInChI=1S/C14H17NO/c1-11-6-5-9-13(14(11)15-16)10-12-7-3-2-4-8-12/h2-4,7-8,10-11,14H,5-6,9H2,1H3
InChIKeyJGHSCDWPFWHKTN-UHFFFAOYSA-N
XLogP4.03
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-nitrosocyclohexylidene)methylbenzene?
The IUPAC name of (3-methyl-2-nitrosocyclohexylidene)methylbenzene (CID 57234852) is (3-methyl-2-nitrosocyclohexylidene)methylbenzene.
What is the SMILES notation for (3-methyl-2-nitrosocyclohexylidene)methylbenzene?
The canonical SMILES for (3-methyl-2-nitrosocyclohexylidene)methylbenzene is CC1CCCC(=Cc2ccccc2)C1N=O.
What is the InChIKey of (3-methyl-2-nitrosocyclohexylidene)methylbenzene?
The InChIKey is JGHSCDWPFWHKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11-6-5-9-13(14(11)15-16)10-12-7-3-2-4-8-12/h2-4,7-8,10-11,14H,5-6,9H2,1H3.
What are the key properties of (3-methyl-2-nitrosocyclohexylidene)methylbenzene?
(3-methyl-2-nitrosocyclohexylidene)methylbenzene has a molecular weight of 215.30 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-nitrosocyclohexylidene)methylbenzene is sourced from PubChem (CID 57234852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).