N-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide

C9H14N2O — CID 130542642

IUPACN-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide
SMILESC#CC(=O)NCC1(C)CCCN1
InChIInChI=1S/C9H14N2O/c1-3-8(12)10-7-9(2)5-4-6-11-9/h1,11H,4-7H2,2H3,(H,10,12)
InChIKeyFHXKMNQAWLSMDY-UHFFFAOYSA-N
MW166.22 g/mol
LogP-0.12
Rot. Bonds2

About N-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide

N-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide (PubChem CID 130542642) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide
PubChem CID130542642
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide
SMILESC#CC(=O)NCC1(C)CCCN1
InChIInChI=1S/C9H14N2O/c1-3-8(12)10-7-9(2)5-4-6-11-9/h1,11H,4-7H2,2H3,(H,10,12)
InChIKeyFHXKMNQAWLSMDY-UHFFFAOYSA-N
XLogP-0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide?
The IUPAC name of N-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide (CID 130542642) is N-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide.
What is the SMILES notation for N-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide?
The canonical SMILES for N-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide is C#CC(=O)NCC1(C)CCCN1.
What is the InChIKey of N-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide?
The InChIKey is FHXKMNQAWLSMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-8(12)10-7-9(2)5-4-6-11-9/h1,11H,4-7H2,2H3,(H,10,12).
What are the key properties of N-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide?
N-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide has a molecular weight of 166.22 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide is sourced from PubChem (CID 130542642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).