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

C15H18N2O — CID 104972166

IUPAC3-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NCC[C@@H]1CCCN1
InChIInChI=1S/C15H18N2O/c18-15(9-8-13-5-2-1-3-6-13)17-12-10-14-7-4-11-16-14/h1-3,5-6,14,16H,4,7,10-12H2,(H,17,18)/t14-/m0/s1
InChIKeyGSSQVQWABFVCRF-AWEZNQCLSA-N
MW242.32 g/mol
LogP1.30
Rot. Bonds3

About 3-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide

3-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide (PubChem CID 104972166) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide.

Molecular Properties

Compound Name3-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide
PubChem CID104972166
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NCC[C@@H]1CCCN1
InChIInChI=1S/C15H18N2O/c18-15(9-8-13-5-2-1-3-6-13)17-12-10-14-7-4-11-16-14/h1-3,5-6,14,16H,4,7,10-12H2,(H,17,18)/t14-/m0/s1
InChIKeyGSSQVQWABFVCRF-AWEZNQCLSA-N
XLogP1.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.30
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

2-phenoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]acetamide
CID 104971951
2-phenyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104971899
2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955284
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide
CID 104972266
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893460
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide
CID 114793980
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]naphthalene-2-carboxamide
CID 104971760
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide?
The IUPAC name of 3-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide (CID 104972166) is 3-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide.
What is the SMILES notation for 3-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide?
The canonical SMILES for 3-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide is O=C(C#Cc1ccccc1)NCC[C@@H]1CCCN1.
What is the InChIKey of 3-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide?
The InChIKey is GSSQVQWABFVCRF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2O/c18-15(9-8-13-5-2-1-3-6-13)17-12-10-14-7-4-11-16-14/h1-3,5-6,14,16H,4,7,10-12H2,(H,17,18)/t14-/m0/s1.
What are the key properties of 3-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide?
3-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide has a molecular weight of 242.32 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide is sourced from PubChem (CID 104972166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).