2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide

C9H14N2O — CID 130614788

IUPAC2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide
SMILESC#CCNC(=O)N1CCCC1C
InChIInChI=1S/C9H14N2O/c1-3-6-10-9(12)11-7-4-5-8(11)2/h1,8H,4-7H2,2H3,(H,10,12)
InChIKeySZDYMEHFOIMQBK-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.81
Rot. Bonds1

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

2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide (PubChem CID 130614788) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide
PubChem CID130614788
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide
SMILESC#CCNC(=O)N1CCCC1C
InChIInChI=1S/C9H14N2O/c1-3-6-10-9(12)11-7-4-5-8(11)2/h1,8H,4-7H2,2H3,(H,10,12)
InChIKeySZDYMEHFOIMQBK-UHFFFAOYSA-N
XLogP0.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61192237
1-(prop-2-ynylcarbamoyl)azepane-2-carboxylic acid
CID 64563682
3-methyl-N-prop-2-ynylpiperidine-1-carboxamide
CID 112722495
N-(cyclohexylmethyl)-2-methylpiperidine-1-carboxamide
CID 108902901
tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate
CID 95321341
1-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-prop-2-ynylurea
CID 95334528
2-[[2-[(2-methylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid
CID 61207278
N-prop-2-ynylpyrrolidine-1-carboxamide
CID 112722494
1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-prop-2-ynylguanidine;hydroiodide
CID 136921930
N-cyclobutyl-2-methylpyrrolidine-1-carboxamide
CID 115664840
N-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide
CID 108870375
N-butan-2-yl-2-methylpiperidine-1-carboxamide
CID 45366573

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide?
The IUPAC name of 2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide (CID 130614788) is 2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide is C#CCNC(=O)N1CCCC1C.
What is the InChIKey of 2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide?
The InChIKey is SZDYMEHFOIMQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-6-10-9(12)11-7-4-5-8(11)2/h1,8H,4-7H2,2H3,(H,10,12).
What are the key properties of 2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide?
2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide has a molecular weight of 166.22 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide is sourced from PubChem (CID 130614788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).