N-methyl-N-pyrrolidin-3-ylprop-2-ynamide

C8H12N2O — CID 63297797

IUPACN-methyl-N-pyrrolidin-3-ylprop-2-ynamide
SMILESC#CC(=O)N(C)C1CCNC1
InChIInChI=1S/C8H12N2O/c1-3-8(11)10(2)7-4-5-9-6-7/h1,7,9H,4-6H2,2H3
InChIKeyFROXOUSSCKKFBL-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.56
Rot. Bonds1

About N-methyl-N-pyrrolidin-3-ylprop-2-ynamide

N-methyl-N-pyrrolidin-3-ylprop-2-ynamide (PubChem CID 63297797) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-ylprop-2-ynamide.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-ylprop-2-ynamide
PubChem CID63297797
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-methyl-N-pyrrolidin-3-ylprop-2-ynamide
SMILESC#CC(=O)N(C)C1CCNC1
InChIInChI=1S/C8H12N2O/c1-3-8(11)10(2)7-4-5-9-6-7/h1,7,9H,4-6H2,2H3
InChIKeyFROXOUSSCKKFBL-UHFFFAOYSA-N
XLogP-0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290
(3S)-N-methyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 131110681
N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 174958940
N-methyl-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 119011345
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethanesulfinic acid
CID 84674319
N-methyl-N-pyrrolidin-3-ylbut-3-enamide
CID 63298197
4-(dipropylamino)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551610
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide
CID 119554222
N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119554778
N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid
CID 156620205
2-(2-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119553666

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-ylprop-2-ynamide?
The IUPAC name of N-methyl-N-pyrrolidin-3-ylprop-2-ynamide (CID 63297797) is N-methyl-N-pyrrolidin-3-ylprop-2-ynamide.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-ylprop-2-ynamide?
The canonical SMILES for N-methyl-N-pyrrolidin-3-ylprop-2-ynamide is C#CC(=O)N(C)C1CCNC1.
What is the InChIKey of N-methyl-N-pyrrolidin-3-ylprop-2-ynamide?
The InChIKey is FROXOUSSCKKFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-8(11)10(2)7-4-5-9-6-7/h1,7,9H,4-6H2,2H3.
What are the key properties of N-methyl-N-pyrrolidin-3-ylprop-2-ynamide?
N-methyl-N-pyrrolidin-3-ylprop-2-ynamide has a molecular weight of 152.20 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-ylprop-2-ynamide is sourced from PubChem (CID 63297797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).