CID 174135760

C7H13B2N2O — CID 174135760

IUPAC—
SMILES[B][B]NC1CC(C(C)=O)N(C)C1
InChIInChI=1S/C7H13B2N2O/c1-5(12)7-3-6(10-9-8)4-11(7)2/h6-7,10H,3-4H2,1-2H3
InChIKeyFRCYHGMBXYVWPK-UHFFFAOYSA-N
MW162.82 g/mol
LogP-1.06
Rot. Bonds3

About CID 174135760

CID 174135760 (PubChem CID 174135760) has the molecular formula C7H13B2N2O and a molecular weight of 162.82 g/mol.

Molecular Properties

Compound NameCID 174135760
PubChem CID174135760
Molecular FormulaC7H13B2N2O
Molecular Weight162.82 g/mol
Exact Mass163.12
IUPAC Name—
SMILES[B][B]NC1CC(C(C)=O)N(C)C1
InChIInChI=1S/C7H13B2N2O/c1-5(12)7-3-6(10-9-8)4-11(7)2/h6-7,10H,3-4H2,1-2H3
InChIKeyFRCYHGMBXYVWPK-UHFFFAOYSA-N
XLogP-1.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.82
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone
CID 59918461
1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone
CID 59902800
1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone
CID 70192630
1-[4-(dimethylamino)-1-methylpyrrolidin-2-yl]ethanone
CID 20647920
1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethanone
CID 20660431
1-[(2S,4R)-4-ethenyl-1-methylpyrrolidin-2-yl]ethanone
CID 157025794
3-acetyl-2-methyl-1,3,4,4a,5,7,8,8a-octahydroisoquinolin-6-one
CID 20820154
CID 174135762
CID 174135762
methyl (2S,4S)-4-[(2-methoxypyrimidine-5-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate
CID 50951180
dimethyl (2S,4S)-1-methylpyrrolidine-2,4-dicarboxylate
CID 58854681
methyl (2S,4R)-1-methyl-4-[(2-propan-2-ylsulfanylacetyl)amino]pyrrolidine-2-carboxylate
CID 50961504
methyl (2S,4S)-4-(2,2-dimethylpropoxycarbonylamino)-1-methylpyrrolidine-2-carboxylate
CID 50973945

Frequently Asked Questions

What is the IUPAC name of CID 174135760?
The IUPAC name of CID 174135760 (CID 174135760) is not available.
What is the SMILES notation for CID 174135760?
The canonical SMILES for CID 174135760 is [B][B]NC1CC(C(C)=O)N(C)C1.
What is the InChIKey of CID 174135760?
The InChIKey is FRCYHGMBXYVWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13B2N2O/c1-5(12)7-3-6(10-9-8)4-11(7)2/h6-7,10H,3-4H2,1-2H3.
What are the key properties of CID 174135760?
CID 174135760 has a molecular weight of 162.82 g/mol, XLogP of -1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174135760 is sourced from PubChem (CID 174135760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).