3-methyl-N-pent-2-ynylbutanamide;molecular hydrogen

C10H19NO — CID 153366158

IUPAC3-methyl-N-pent-2-ynylbutanamide;molecular hydrogen
SMILESCCC#CCNC(=O)CC(C)C.[H][H]
InChIInChI=1S/C10H17NO.H2/c1-4-5-6-7-11-10(12)8-9(2)3;/h9H,4,7-8H2,1-3H3,(H,11,12);1H
InChIKeyKFFWQQSFOOAMAC-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.81
Rot. Bonds3

About 3-methyl-N-pent-2-ynylbutanamide;molecular hydrogen

3-methyl-N-pent-2-ynylbutanamide;molecular hydrogen (PubChem CID 153366158) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-N-pent-2-ynylbutanamide;molecular hydrogen.

Molecular Properties

Compound Name3-methyl-N-pent-2-ynylbutanamide;molecular hydrogen
PubChem CID153366158
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-N-pent-2-ynylbutanamide;molecular hydrogen
SMILESCCC#CCNC(=O)CC(C)C.[H][H]
InChIInChI=1S/C10H17NO.H2/c1-4-5-6-7-11-10(12)8-9(2)3;/h9H,4,7-8H2,1-3H3,(H,11,12);1H
InChIKeyKFFWQQSFOOAMAC-UHFFFAOYSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pent-2-ynylbutanamide;molecular hydrogen?
The IUPAC name of 3-methyl-N-pent-2-ynylbutanamide;molecular hydrogen (CID 153366158) is 3-methyl-N-pent-2-ynylbutanamide;molecular hydrogen.
What is the SMILES notation for 3-methyl-N-pent-2-ynylbutanamide;molecular hydrogen?
The canonical SMILES for 3-methyl-N-pent-2-ynylbutanamide;molecular hydrogen is CCC#CCNC(=O)CC(C)C.[H][H].
What is the InChIKey of 3-methyl-N-pent-2-ynylbutanamide;molecular hydrogen?
The InChIKey is KFFWQQSFOOAMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.H2/c1-4-5-6-7-11-10(12)8-9(2)3;/h9H,4,7-8H2,1-3H3,(H,11,12);1H.
What are the key properties of 3-methyl-N-pent-2-ynylbutanamide;molecular hydrogen?
3-methyl-N-pent-2-ynylbutanamide;molecular hydrogen has a molecular weight of 169.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pent-2-ynylbutanamide;molecular hydrogen is sourced from PubChem (CID 153366158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).