N-(3-methyl-1-oxopentan-2-yl)propanamide

C9H17NO2 — CID 19592258

IUPACN-(3-methyl-1-oxopentan-2-yl)propanamide
SMILESCCC(=O)NC(C=O)C(C)CC
InChIInChI=1S/C9H17NO2/c1-4-7(3)8(6-11)10-9(12)5-2/h6-8H,4-5H2,1-3H3,(H,10,12)
InChIKeyQSQQVEWUZXMKQG-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.13
Rot. Bonds5

About N-(3-methyl-1-oxopentan-2-yl)propanamide

N-(3-methyl-1-oxopentan-2-yl)propanamide (PubChem CID 19592258) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(3-methyl-1-oxopentan-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-methyl-1-oxopentan-2-yl)propanamide
PubChem CID19592258
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(3-methyl-1-oxopentan-2-yl)propanamide
SMILESCCC(=O)NC(C=O)C(C)CC
InChIInChI=1S/C9H17NO2/c1-4-7(3)8(6-11)10-9(12)5-2/h6-8H,4-5H2,1-3H3,(H,10,12)
InChIKeyQSQQVEWUZXMKQG-UHFFFAOYSA-N
XLogP1.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-oxopentan-2-yl)propanamide?
The IUPAC name of N-(3-methyl-1-oxopentan-2-yl)propanamide (CID 19592258) is N-(3-methyl-1-oxopentan-2-yl)propanamide.
What is the SMILES notation for N-(3-methyl-1-oxopentan-2-yl)propanamide?
The canonical SMILES for N-(3-methyl-1-oxopentan-2-yl)propanamide is CCC(=O)NC(C=O)C(C)CC.
What is the InChIKey of N-(3-methyl-1-oxopentan-2-yl)propanamide?
The InChIKey is QSQQVEWUZXMKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-7(3)8(6-11)10-9(12)5-2/h6-8H,4-5H2,1-3H3,(H,10,12).
What are the key properties of N-(3-methyl-1-oxopentan-2-yl)propanamide?
N-(3-methyl-1-oxopentan-2-yl)propanamide has a molecular weight of 171.24 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-oxopentan-2-yl)propanamide is sourced from PubChem (CID 19592258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).