N-(2,7-dimethyl-6-oxooctan-3-ylidene)formamide

C11H19NO2 — CID 129015628

IUPACN-(2,7-dimethyl-6-oxooctan-3-ylidene)formamide
SMILESCC(C)C(=O)CC/C(=N\C=O)C(C)C
InChIInChI=1S/C11H19NO2/c1-8(2)10(12-7-13)5-6-11(14)9(3)4/h7-9H,5-6H2,1-4H3/b12-10+
InChIKeyDOXQRGJVDTZUBW-ZRDIBKRKSA-N
MW197.28 g/mol
LogP2.25
Rot. Bonds6

About N-(2,7-dimethyl-6-oxooctan-3-ylidene)formamide

N-(2,7-dimethyl-6-oxooctan-3-ylidene)formamide (PubChem CID 129015628) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(2,7-dimethyl-6-oxooctan-3-ylidene)formamide.

Molecular Properties

Compound NameN-(2,7-dimethyl-6-oxooctan-3-ylidene)formamide
PubChem CID129015628
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(2,7-dimethyl-6-oxooctan-3-ylidene)formamide
SMILESCC(C)C(=O)CC/C(=N\C=O)C(C)C
InChIInChI=1S/C11H19NO2/c1-8(2)10(12-7-13)5-6-11(14)9(3)4/h7-9H,5-6H2,1-4H3/b12-10+
InChIKeyDOXQRGJVDTZUBW-ZRDIBKRKSA-N
XLogP2.25
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,7-dimethyl-6-oxooctan-3-ylidene)formamide?
The IUPAC name of N-(2,7-dimethyl-6-oxooctan-3-ylidene)formamide (CID 129015628) is N-(2,7-dimethyl-6-oxooctan-3-ylidene)formamide.
What is the SMILES notation for N-(2,7-dimethyl-6-oxooctan-3-ylidene)formamide?
The canonical SMILES for N-(2,7-dimethyl-6-oxooctan-3-ylidene)formamide is CC(C)C(=O)CC/C(=N\C=O)C(C)C.
What is the InChIKey of N-(2,7-dimethyl-6-oxooctan-3-ylidene)formamide?
The InChIKey is DOXQRGJVDTZUBW-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)10(12-7-13)5-6-11(14)9(3)4/h7-9H,5-6H2,1-4H3/b12-10+.
What are the key properties of N-(2,7-dimethyl-6-oxooctan-3-ylidene)formamide?
N-(2,7-dimethyl-6-oxooctan-3-ylidene)formamide has a molecular weight of 197.28 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,7-dimethyl-6-oxooctan-3-ylidene)formamide is sourced from PubChem (CID 129015628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).