N-propyl-N-prop-2-ynylpyrrolidine-1-carboxamide

C11H18N2O — CID 78969952

IUPACN-propyl-N-prop-2-ynylpyrrolidine-1-carboxamide
SMILESC#CCN(CCC)C(=O)N1CCCC1
InChIInChI=1S/C11H18N2O/c1-3-7-12(8-4-2)11(14)13-9-5-6-10-13/h1H,4-10H2,2H3
InChIKeySSCXEVWEVIREBV-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.55
Rot. Bonds3

About N-propyl-N-prop-2-ynylpyrrolidine-1-carboxamide

N-propyl-N-prop-2-ynylpyrrolidine-1-carboxamide (PubChem CID 78969952) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-propyl-N-prop-2-ynylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-propyl-N-prop-2-ynylpyrrolidine-1-carboxamide
PubChem CID78969952
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-propyl-N-prop-2-ynylpyrrolidine-1-carboxamide
SMILESC#CCN(CCC)C(=O)N1CCCC1
InChIInChI=1S/C11H18N2O/c1-3-7-12(8-4-2)11(14)13-9-5-6-10-13/h1H,4-10H2,2H3
InChIKeySSCXEVWEVIREBV-UHFFFAOYSA-N
XLogP1.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone
CID 170289305
N-(cyclopropylmethyl)-N-propylpyrrolidine-1-carboxamide
CID 115578768
2-[propyl(prop-2-ynyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103999848
N-prop-2-enyl-N-propylpiperidine-1-carboxamide
CID 116657075
N-propyl-N-prop-2-ynyl-2-sulfanylpropanamide
CID 107033460
N-propyl-N-prop-2-ynylcycloheptanecarboxamide
CID 78917353
4-ethyl-N,N-dipropylpiperazine-1-carboxamide
CID 108988508
1-cyclobutyl-N-propyl-N-prop-2-ynylpyrrole-2-carboxamide
CID 114610854
2,2-dichloro-N-propyl-N-prop-2-ynylacetamide
CID 13324355
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
2-[(4,4-dimethylpiperidine-1-carbonyl)-prop-2-ynylamino]acetic acid
CID 79283292
2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid
CID 62967639

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-prop-2-ynylpyrrolidine-1-carboxamide?
The IUPAC name of N-propyl-N-prop-2-ynylpyrrolidine-1-carboxamide (CID 78969952) is N-propyl-N-prop-2-ynylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-propyl-N-prop-2-ynylpyrrolidine-1-carboxamide?
The canonical SMILES for N-propyl-N-prop-2-ynylpyrrolidine-1-carboxamide is C#CCN(CCC)C(=O)N1CCCC1.
What is the InChIKey of N-propyl-N-prop-2-ynylpyrrolidine-1-carboxamide?
The InChIKey is SSCXEVWEVIREBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-7-12(8-4-2)11(14)13-9-5-6-10-13/h1H,4-10H2,2H3.
What are the key properties of N-propyl-N-prop-2-ynylpyrrolidine-1-carboxamide?
N-propyl-N-prop-2-ynylpyrrolidine-1-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-prop-2-ynylpyrrolidine-1-carboxamide is sourced from PubChem (CID 78969952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).