6-methyl-N-prop-1-en-2-ylheptanamide

C11H21NO — CID 89159358

IUPAC6-methyl-N-prop-1-en-2-ylheptanamide
SMILESC=C(C)NC(=O)CCCCC(C)C
InChIInChI=1S/C11H21NO/c1-9(2)7-5-6-8-11(13)12-10(3)4/h9H,3,5-8H2,1-2,4H3,(H,12,13)
InChIKeyDQMQBSOSQVHYLN-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.85
Rot. Bonds6

About 6-methyl-N-prop-1-en-2-ylheptanamide

6-methyl-N-prop-1-en-2-ylheptanamide (PubChem CID 89159358) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 6-methyl-N-prop-1-en-2-ylheptanamide.

Molecular Properties

Compound Name6-methyl-N-prop-1-en-2-ylheptanamide
PubChem CID89159358
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name6-methyl-N-prop-1-en-2-ylheptanamide
SMILESC=C(C)NC(=O)CCCCC(C)C
InChIInChI=1S/C11H21NO/c1-9(2)7-5-6-8-11(13)12-10(3)4/h9H,3,5-8H2,1-2,4H3,(H,12,13)
InChIKeyDQMQBSOSQVHYLN-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-prop-1-en-2-ylheptanamide?
The IUPAC name of 6-methyl-N-prop-1-en-2-ylheptanamide (CID 89159358) is 6-methyl-N-prop-1-en-2-ylheptanamide.
What is the SMILES notation for 6-methyl-N-prop-1-en-2-ylheptanamide?
The canonical SMILES for 6-methyl-N-prop-1-en-2-ylheptanamide is C=C(C)NC(=O)CCCCC(C)C.
What is the InChIKey of 6-methyl-N-prop-1-en-2-ylheptanamide?
The InChIKey is DQMQBSOSQVHYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)7-5-6-8-11(13)12-10(3)4/h9H,3,5-8H2,1-2,4H3,(H,12,13).
What are the key properties of 6-methyl-N-prop-1-en-2-ylheptanamide?
6-methyl-N-prop-1-en-2-ylheptanamide has a molecular weight of 183.29 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-prop-1-en-2-ylheptanamide is sourced from PubChem (CID 89159358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).