(1-acetyl-2-benzyl-3-methylpyrrolidin-3-yl) carbamate

C15H20N2O3 — CID 175411428

IUPAC(1-acetyl-2-benzyl-3-methylpyrrolidin-3-yl) carbamate
SMILESCC(=O)N1CCC(C)(OC(N)=O)C1Cc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(18)17-9-8-15(2,20-14(16)19)13(17)10-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3,(H2,16,19)
InChIKeyOYEVOKGFUXCRPZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.70
Rot. Bonds3

About (1-acetyl-2-benzyl-3-methylpyrrolidin-3-yl) carbamate

(1-acetyl-2-benzyl-3-methylpyrrolidin-3-yl) carbamate (PubChem CID 175411428) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (1-acetyl-2-benzyl-3-methylpyrrolidin-3-yl) carbamate.

Molecular Properties

Compound Name(1-acetyl-2-benzyl-3-methylpyrrolidin-3-yl) carbamate
PubChem CID175411428
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(1-acetyl-2-benzyl-3-methylpyrrolidin-3-yl) carbamate
SMILESCC(=O)N1CCC(C)(OC(N)=O)C1Cc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(18)17-9-8-15(2,20-14(16)19)13(17)10-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3,(H2,16,19)
InChIKeyOYEVOKGFUXCRPZ-UHFFFAOYSA-N
XLogP1.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S,3S)-2-benzyl-3-methoxy-3-methylpyrrolidine-1-carboxylate
CID 156749662
1-(2-benzyl-4-methylpiperazin-1-yl)ethanone
CID 59474156
1-O-benzyl 2-O-methyl (2S,3R)-3-methyl-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate
CID 134864947
benzyl (2S,3S)-2-ethyl-3-hydroxy-3-methylpyrrolidine-1-carboxylate
CID 59273087
(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide
CID 95811257
1-acetyl-4-benzylpiperazine-2-carboxamide
CID 110250206
benzyl 1,4-dimethylpiperidine-4-carboxylate
CID 21050575
4-methyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 110097823
benzyl (2S,4R)-4-hydroxy-4-methyl-2-phenylpiperidine-1-carboxylate
CID 174161379
N'-[2-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethyl]oxamide
CID 174407433
[(1R,3S,4S)-1-benzyl-3-fluoro-4-hydroxycyclohexyl] carbamate
CID 172849870
acetic acid;2-oxo-3-phenylpropanamide
CID 143555968

Frequently Asked Questions

What is the IUPAC name of (1-acetyl-2-benzyl-3-methylpyrrolidin-3-yl) carbamate?
The IUPAC name of (1-acetyl-2-benzyl-3-methylpyrrolidin-3-yl) carbamate (CID 175411428) is (1-acetyl-2-benzyl-3-methylpyrrolidin-3-yl) carbamate.
What is the SMILES notation for (1-acetyl-2-benzyl-3-methylpyrrolidin-3-yl) carbamate?
The canonical SMILES for (1-acetyl-2-benzyl-3-methylpyrrolidin-3-yl) carbamate is CC(=O)N1CCC(C)(OC(N)=O)C1Cc1ccccc1.
What is the InChIKey of (1-acetyl-2-benzyl-3-methylpyrrolidin-3-yl) carbamate?
The InChIKey is OYEVOKGFUXCRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(18)17-9-8-15(2,20-14(16)19)13(17)10-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3,(H2,16,19).
What are the key properties of (1-acetyl-2-benzyl-3-methylpyrrolidin-3-yl) carbamate?
(1-acetyl-2-benzyl-3-methylpyrrolidin-3-yl) carbamate has a molecular weight of 276.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-2-benzyl-3-methylpyrrolidin-3-yl) carbamate is sourced from PubChem (CID 175411428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).