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

C8H14N2O3 — CID 175411434

IUPAC(1-acetyl-3-methylpyrrolidin-3-yl) carbamate
SMILESCC(=O)N1CCC(C)(OC(N)=O)C1
InChIInChI=1S/C8H14N2O3/c1-6(11)10-4-3-8(2,5-10)13-7(9)12/h3-5H2,1-2H3,(H2,9,12)
InChIKeyNOKSFXNLTMPISL-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.09
Rot. Bonds1

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

(1-acetyl-3-methylpyrrolidin-3-yl) carbamate (PubChem CID 175411434) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (1-acetyl-3-methylpyrrolidin-3-yl) carbamate.

Molecular Properties

Compound Name(1-acetyl-3-methylpyrrolidin-3-yl) carbamate
PubChem CID175411434
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(1-acetyl-3-methylpyrrolidin-3-yl) carbamate
SMILESCC(=O)N1CCC(C)(OC(N)=O)C1
InChIInChI=1S/C8H14N2O3/c1-6(11)10-4-3-8(2,5-10)13-7(9)12/h3-5H2,1-2H3,(H2,9,12)
InChIKeyNOKSFXNLTMPISL-UHFFFAOYSA-N
XLogP0.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-acetyl-3-methylpyrrolidin-3-yl) carbamate?
The IUPAC name of (1-acetyl-3-methylpyrrolidin-3-yl) carbamate (CID 175411434) is (1-acetyl-3-methylpyrrolidin-3-yl) carbamate.
What is the SMILES notation for (1-acetyl-3-methylpyrrolidin-3-yl) carbamate?
The canonical SMILES for (1-acetyl-3-methylpyrrolidin-3-yl) carbamate is CC(=O)N1CCC(C)(OC(N)=O)C1.
What is the InChIKey of (1-acetyl-3-methylpyrrolidin-3-yl) carbamate?
The InChIKey is NOKSFXNLTMPISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(11)10-4-3-8(2,5-10)13-7(9)12/h3-5H2,1-2H3,(H2,9,12).
What are the key properties of (1-acetyl-3-methylpyrrolidin-3-yl) carbamate?
(1-acetyl-3-methylpyrrolidin-3-yl) carbamate has a molecular weight of 186.21 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-3-methylpyrrolidin-3-yl) carbamate is sourced from PubChem (CID 175411434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).