ethane;N-(2-methylprop-2-enyl)pentanamide

C11H23NO — CID 153377283

IUPACethane;N-(2-methylprop-2-enyl)pentanamide
SMILESC=C(C)CNC(=O)CCCC.CC
InChIInChI=1S/C9H17NO.C2H6/c1-4-5-6-9(11)10-7-8(2)3;1-2/h2,4-7H2,1,3H3,(H,10,11);1-2H3
InChIKeyXHFOBAMJPOSFLW-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.90
Rot. Bonds5

About ethane;N-(2-methylprop-2-enyl)pentanamide

ethane;N-(2-methylprop-2-enyl)pentanamide (PubChem CID 153377283) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;N-(2-methylprop-2-enyl)pentanamide.

Molecular Properties

Compound Nameethane;N-(2-methylprop-2-enyl)pentanamide
PubChem CID153377283
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;N-(2-methylprop-2-enyl)pentanamide
SMILESC=C(C)CNC(=O)CCCC.CC
InChIInChI=1S/C9H17NO.C2H6/c1-4-5-6-9(11)10-7-8(2)3;1-2/h2,4-7H2,1,3H3,(H,10,11);1-2H3
InChIKeyXHFOBAMJPOSFLW-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.90
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 ethane;N-(2-methylprop-2-enyl)pentanamide?
The IUPAC name of ethane;N-(2-methylprop-2-enyl)pentanamide (CID 153377283) is ethane;N-(2-methylprop-2-enyl)pentanamide.
What is the SMILES notation for ethane;N-(2-methylprop-2-enyl)pentanamide?
The canonical SMILES for ethane;N-(2-methylprop-2-enyl)pentanamide is C=C(C)CNC(=O)CCCC.CC.
What is the InChIKey of ethane;N-(2-methylprop-2-enyl)pentanamide?
The InChIKey is XHFOBAMJPOSFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-4-5-6-9(11)10-7-8(2)3;1-2/h2,4-7H2,1,3H3,(H,10,11);1-2H3.
What are the key properties of ethane;N-(2-methylprop-2-enyl)pentanamide?
ethane;N-(2-methylprop-2-enyl)pentanamide has a molecular weight of 185.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylprop-2-enyl)pentanamide is sourced from PubChem (CID 153377283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).