acetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide

C12H24N2O — CID 143542096

IUPACacetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESC#C.CCC.CCC(=O)N[C@H]1CCNC1
InChIInChI=1S/C7H14N2O.C3H8.C2H2/c1-2-7(10)9-6-3-4-8-5-6;1-3-2;1-2/h6,8H,2-5H2,1H3,(H,9,10);3H2,1-2H3;1-2H/t6-;;/m0../s1
InChIKeyOXAXVAJKDVFOJZ-ILKKLZGPSA-N
MW212.34 g/mol
LogP1.54
Rot. Bonds2

About acetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide

acetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide (PubChem CID 143542096) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is acetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Nameacetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide
PubChem CID143542096
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Nameacetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESC#C.CCC.CCC(=O)N[C@H]1CCNC1
InChIInChI=1S/C7H14N2O.C3H8.C2H2/c1-2-7(10)9-6-3-4-8-5-6;1-3-2;1-2/h6,8H,2-5H2,1H3,(H,9,10);3H2,1-2H3;1-2H/t6-;;/m0../s1
InChIKeyOXAXVAJKDVFOJZ-ILKKLZGPSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pyrrolidin-3-ylpropanamide
CID 18337238
N-piperidin-3-ylpropanamide
CID 3520588
2-ethoxy-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 79685871
N-[(3S)-pyrrolidin-3-yl]decanamide
CID 79688087
N-pyrrolidin-3-ylpent-4-ynamide
CID 103840756
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468
2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 58468710
2-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 103165051
2-cyclopentyl-N-pyrrolidin-3-ylacetamide
CID 60778008
ethyl N-pyrrolidin-3-ylcarbamate
CID 11321104
3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide
CID 119454357

Frequently Asked Questions

What is the IUPAC name of acetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide?
The IUPAC name of acetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide (CID 143542096) is acetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide.
What is the SMILES notation for acetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide?
The canonical SMILES for acetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide is C#C.CCC.CCC(=O)N[C@H]1CCNC1.
What is the InChIKey of acetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide?
The InChIKey is OXAXVAJKDVFOJZ-ILKKLZGPSA-N. The full InChI is InChI=1S/C7H14N2O.C3H8.C2H2/c1-2-7(10)9-6-3-4-8-5-6;1-3-2;1-2/h6,8H,2-5H2,1H3,(H,9,10);3H2,1-2H3;1-2H/t6-;;/m0../s1.
What are the key properties of acetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide?
acetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide has a molecular weight of 212.34 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 143542096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).