N-(5-methylhept-6-en-2-yl)propanamide

C11H21NO — CID 91403956

IUPACN-(5-methylhept-6-en-2-yl)propanamide
SMILESC=CC(C)CCC(C)NC(=O)CC
InChIInChI=1S/C11H21NO/c1-5-9(3)7-8-10(4)12-11(13)6-2/h5,9-10H,1,6-8H2,2-4H3,(H,12,13)
InChIKeyAFRVOJHKFDHQRP-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.50
Rot. Bonds6

About N-(5-methylhept-6-en-2-yl)propanamide

N-(5-methylhept-6-en-2-yl)propanamide (PubChem CID 91403956) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(5-methylhept-6-en-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-methylhept-6-en-2-yl)propanamide
PubChem CID91403956
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(5-methylhept-6-en-2-yl)propanamide
SMILESC=CC(C)CCC(C)NC(=O)CC
InChIInChI=1S/C11H21NO/c1-5-9(3)7-8-10(4)12-11(13)6-2/h5,9-10H,1,6-8H2,2-4H3,(H,12,13)
InChIKeyAFRVOJHKFDHQRP-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylhept-6-en-2-yl)propanamide?
The IUPAC name of N-(5-methylhept-6-en-2-yl)propanamide (CID 91403956) is N-(5-methylhept-6-en-2-yl)propanamide.
What is the SMILES notation for N-(5-methylhept-6-en-2-yl)propanamide?
The canonical SMILES for N-(5-methylhept-6-en-2-yl)propanamide is C=CC(C)CCC(C)NC(=O)CC.
What is the InChIKey of N-(5-methylhept-6-en-2-yl)propanamide?
The InChIKey is AFRVOJHKFDHQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-9(3)7-8-10(4)12-11(13)6-2/h5,9-10H,1,6-8H2,2-4H3,(H,12,13).
What are the key properties of N-(5-methylhept-6-en-2-yl)propanamide?
N-(5-methylhept-6-en-2-yl)propanamide has a molecular weight of 183.29 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhept-6-en-2-yl)propanamide is sourced from PubChem (CID 91403956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).