N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide

C9H14N2O — CID 104972266

IUPACN-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide
SMILESC#CC(=O)NCC[C@@H]1CCCN1
InChIInChI=1S/C9H14N2O/c1-2-9(12)11-7-5-8-4-3-6-10-8/h1,8,10H,3-7H2,(H,11,12)/t8-/m0/s1
InChIKeyQMYHTGOJTSFPKG-QMMMGPOBSA-N
MW166.22 g/mol
LogP-0.12
Rot. Bonds3

About N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide

N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide (PubChem CID 104972266) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide
PubChem CID104972266
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide
SMILESC#CC(=O)NCC[C@@H]1CCCN1
InChIInChI=1S/C9H14N2O/c1-2-9(12)11-7-5-8-4-3-6-10-8/h1,8,10H,3-7H2,(H,11,12)/t8-/m0/s1
InChIKeyQMYHTGOJTSFPKG-QMMMGPOBSA-N
XLogP-0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

N-[2-[(2R)-pyrrolidin-2-yl]ethyl]cyclopentanecarboxamide
CID 104972065
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
N-(2-pyrrolidin-2-ylethyl)cyclopent-3-ene-1-carboxamide
CID 114793726
3-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide
CID 104972166
2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104972087
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 114793955
2-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955350
1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794047
3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 83619295
2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide
CID 104954995

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide?
The IUPAC name of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide (CID 104972266) is N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide.
What is the SMILES notation for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide?
The canonical SMILES for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide is C#CC(=O)NCC[C@@H]1CCCN1.
What is the InChIKey of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide?
The InChIKey is QMYHTGOJTSFPKG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-9(12)11-7-5-8-4-3-6-10-8/h1,8,10H,3-7H2,(H,11,12)/t8-/m0/s1.
What are the key properties of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide?
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide has a molecular weight of 166.22 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide is sourced from PubChem (CID 104972266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).