N-prop-2-ynylpyrrolidine-1-carboxamide

C8H12N2O — CID 112722494

IUPACN-prop-2-ynylpyrrolidine-1-carboxamide
SMILESC#CCNC(=O)N1CCCC1
InChIInChI=1S/C8H12N2O/c1-2-5-9-8(11)10-6-3-4-7-10/h1H,3-7H2,(H,9,11)
InChIKeyHFNXXJRBRKFTPX-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.43
Rot. Bonds1

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

N-prop-2-ynylpyrrolidine-1-carboxamide (PubChem CID 112722494) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-prop-2-ynylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynylpyrrolidine-1-carboxamide
PubChem CID112722494
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-prop-2-ynylpyrrolidine-1-carboxamide
SMILESC#CCNC(=O)N1CCCC1
InChIInChI=1S/C8H12N2O/c1-2-5-9-8(11)10-6-3-4-7-10/h1H,3-7H2,(H,9,11)
InChIKeyHFNXXJRBRKFTPX-UHFFFAOYSA-N
XLogP0.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.43
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

3-methyl-N-prop-2-ynylpiperidine-1-carboxamide
CID 112722495
4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 82508126
4-methyl-1-(prop-2-ynylcarbamoyl)piperidine-4-carboxylic acid
CID 63123476
3-(hydroxymethyl)-N-prop-2-ynylazetidine-1-carboxamide
CID 131036123
N-[(piperidine-1-carbonylamino)methyl]piperidine-1-carboxamide
CID 59031008
3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide
CID 56553598
N-(2-oxopropyl)azepane-1-carboxamide
CID 79152815
N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 110754954
2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide
CID 130614788
tert-butyl N-[(3S)-1-(prop-2-ynylcarbamoyl)piperidin-3-yl]carbamate
CID 94193162
N-(2-hydroxy-2-methylpropyl)pyrrolidine-1-carboxamide
CID 78951144
N-(2-acetamidoethyl)piperidine-1-carboxamide
CID 115575266

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynylpyrrolidine-1-carboxamide?
The IUPAC name of N-prop-2-ynylpyrrolidine-1-carboxamide (CID 112722494) is N-prop-2-ynylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-prop-2-ynylpyrrolidine-1-carboxamide?
The canonical SMILES for N-prop-2-ynylpyrrolidine-1-carboxamide is C#CCNC(=O)N1CCCC1.
What is the InChIKey of N-prop-2-ynylpyrrolidine-1-carboxamide?
The InChIKey is HFNXXJRBRKFTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-5-9-8(11)10-6-3-4-7-10/h1H,3-7H2,(H,9,11).
What are the key properties of N-prop-2-ynylpyrrolidine-1-carboxamide?
N-prop-2-ynylpyrrolidine-1-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylpyrrolidine-1-carboxamide is sourced from PubChem (CID 112722494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).