(2-methyl-1-pyrrolidin-3-ylpropan-2-yl) carbamate

C9H18N2O2 — CID 150607776

IUPAC(2-methyl-1-pyrrolidin-3-ylpropan-2-yl) carbamate
SMILESCC(C)(CC1CCNC1)OC(N)=O
InChIInChI=1S/C9H18N2O2/c1-9(2,13-8(10)12)5-7-3-4-11-6-7/h7,11H,3-6H2,1-2H3,(H2,10,12)
InChIKeyITFXJVWVFTZHDB-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.86
Rot. Bonds3

About (2-methyl-1-pyrrolidin-3-ylpropan-2-yl) carbamate

(2-methyl-1-pyrrolidin-3-ylpropan-2-yl) carbamate (PubChem CID 150607776) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2-methyl-1-pyrrolidin-3-ylpropan-2-yl) carbamate.

Molecular Properties

Compound Name(2-methyl-1-pyrrolidin-3-ylpropan-2-yl) carbamate
PubChem CID150607776
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2-methyl-1-pyrrolidin-3-ylpropan-2-yl) carbamate
SMILESCC(C)(CC1CCNC1)OC(N)=O
InChIInChI=1S/C9H18N2O2/c1-9(2,13-8(10)12)5-7-3-4-11-6-7/h7,11H,3-6H2,1-2H3,(H2,10,12)
InChIKeyITFXJVWVFTZHDB-UHFFFAOYSA-N
XLogP0.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-pyrrolidin-3-ylpropan-2-yl) carbamate?
The IUPAC name of (2-methyl-1-pyrrolidin-3-ylpropan-2-yl) carbamate (CID 150607776) is (2-methyl-1-pyrrolidin-3-ylpropan-2-yl) carbamate.
What is the SMILES notation for (2-methyl-1-pyrrolidin-3-ylpropan-2-yl) carbamate?
The canonical SMILES for (2-methyl-1-pyrrolidin-3-ylpropan-2-yl) carbamate is CC(C)(CC1CCNC1)OC(N)=O.
What is the InChIKey of (2-methyl-1-pyrrolidin-3-ylpropan-2-yl) carbamate?
The InChIKey is ITFXJVWVFTZHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,13-8(10)12)5-7-3-4-11-6-7/h7,11H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of (2-methyl-1-pyrrolidin-3-ylpropan-2-yl) carbamate?
(2-methyl-1-pyrrolidin-3-ylpropan-2-yl) carbamate has a molecular weight of 186.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-pyrrolidin-3-ylpropan-2-yl) carbamate is sourced from PubChem (CID 150607776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).