6-cyclopropylidene-2-methylheptanamide

C11H19NO — CID 70282436

IUPAC6-cyclopropylidene-2-methylheptanamide
SMILESCC(CCCC(C)C(N)=O)=C1CC1
InChIInChI=1S/C11H19NO/c1-8(10-6-7-10)4-3-5-9(2)11(12)13/h9H,3-7H2,1-2H3,(H2,12,13)
InChIKeyBIFZVXZECVUZRG-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.39
Rot. Bonds5

About 6-cyclopropylidene-2-methylheptanamide

6-cyclopropylidene-2-methylheptanamide (PubChem CID 70282436) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 6-cyclopropylidene-2-methylheptanamide.

Molecular Properties

Compound Name6-cyclopropylidene-2-methylheptanamide
PubChem CID70282436
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name6-cyclopropylidene-2-methylheptanamide
SMILESCC(CCCC(C)C(N)=O)=C1CC1
InChIInChI=1S/C11H19NO/c1-8(10-6-7-10)4-3-5-9(2)11(12)13/h9H,3-7H2,1-2H3,(H2,12,13)
InChIKeyBIFZVXZECVUZRG-UHFFFAOYSA-N
XLogP2.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopropylidene-3-methylheptan-2-one
CID 171788833
(2S)-N'-hydroxy-2-methylhexanediamide
CID 173132567
2-methylhexanamide
CID 2828737
(2S)-2-methyl-5-sulfanylpentanamide
CID 173149777
2-methylpentanediamide
CID 19688970
(2R)-2-methylpentanediamide
CID 90202517
2-methylheptanamide;2-methylhexanamide
CID 160718848
(4R)-5-amino-4-methyl-5-oxopentanoic acid
CID 170269048
2-methylnon-7-enamide
CID 142782091
(2S)-4-amino-2-methylbutanamide
CID 87412339
(2R)-4-hydroxy-2-methylbutanamide
CID 89453282
N'-hydroxy-2-methyloctanediamide
CID 142680471

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropylidene-2-methylheptanamide?
The IUPAC name of 6-cyclopropylidene-2-methylheptanamide (CID 70282436) is 6-cyclopropylidene-2-methylheptanamide.
What is the SMILES notation for 6-cyclopropylidene-2-methylheptanamide?
The canonical SMILES for 6-cyclopropylidene-2-methylheptanamide is CC(CCCC(C)C(N)=O)=C1CC1.
What is the InChIKey of 6-cyclopropylidene-2-methylheptanamide?
The InChIKey is BIFZVXZECVUZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(10-6-7-10)4-3-5-9(2)11(12)13/h9H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 6-cyclopropylidene-2-methylheptanamide?
6-cyclopropylidene-2-methylheptanamide has a molecular weight of 181.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropylidene-2-methylheptanamide is sourced from PubChem (CID 70282436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).