N-(3-methylpentan-2-yl)prop-2-ynamide

C9H15NO — CID 126988457

IUPACN-(3-methylpentan-2-yl)prop-2-ynamide
SMILESC#CC(=O)NC(C)C(C)CC
InChIInChI=1S/C9H15NO/c1-5-7(3)8(4)10-9(11)6-2/h2,7-8H,5H2,1,3-4H3,(H,10,11)
InChIKeyRJNQLJPWSDLAKH-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.17
Rot. Bonds3

About N-(3-methylpentan-2-yl)prop-2-ynamide

N-(3-methylpentan-2-yl)prop-2-ynamide (PubChem CID 126988457) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-(3-methylpentan-2-yl)prop-2-ynamide.

Molecular Properties

Compound NameN-(3-methylpentan-2-yl)prop-2-ynamide
PubChem CID126988457
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-(3-methylpentan-2-yl)prop-2-ynamide
SMILESC#CC(=O)NC(C)C(C)CC
InChIInChI=1S/C9H15NO/c1-5-7(3)8(4)10-9(11)6-2/h2,7-8H,5H2,1,3-4H3,(H,10,11)
InChIKeyRJNQLJPWSDLAKH-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.17
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 N-(3-methylpentan-2-yl)prop-2-ynamide?
The IUPAC name of N-(3-methylpentan-2-yl)prop-2-ynamide (CID 126988457) is N-(3-methylpentan-2-yl)prop-2-ynamide.
What is the SMILES notation for N-(3-methylpentan-2-yl)prop-2-ynamide?
The canonical SMILES for N-(3-methylpentan-2-yl)prop-2-ynamide is C#CC(=O)NC(C)C(C)CC.
What is the InChIKey of N-(3-methylpentan-2-yl)prop-2-ynamide?
The InChIKey is RJNQLJPWSDLAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-7(3)8(4)10-9(11)6-2/h2,7-8H,5H2,1,3-4H3,(H,10,11).
What are the key properties of N-(3-methylpentan-2-yl)prop-2-ynamide?
N-(3-methylpentan-2-yl)prop-2-ynamide has a molecular weight of 153.22 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-2-yl)prop-2-ynamide is sourced from PubChem (CID 126988457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).