[(1R,2R)-2-methylcyclopropyl] carbamate

C5H9NO2 — CID 171719227

IUPAC[(1R,2R)-2-methylcyclopropyl] carbamate
SMILESC[C@@H]1C[C@H]1OC(N)=O
InChIInChI=1S/C5H9NO2/c1-3-2-4(3)8-5(6)7/h3-4H,2H2,1H3,(H2,6,7)/t3-,4-/m1/s1
InChIKeyHZNLMVXDKYVZDG-QWWZWVQMSA-N
MW115.13 g/mol
LogP0.49
Rot. Bonds1

About [(1R,2R)-2-methylcyclopropyl] carbamate

[(1R,2R)-2-methylcyclopropyl] carbamate (PubChem CID 171719227) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is [(1R,2R)-2-methylcyclopropyl] carbamate.

Molecular Properties

Compound Name[(1R,2R)-2-methylcyclopropyl] carbamate
PubChem CID171719227
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name[(1R,2R)-2-methylcyclopropyl] carbamate
SMILESC[C@@H]1C[C@H]1OC(N)=O
InChIInChI=1S/C5H9NO2/c1-3-2-4(3)8-5(6)7/h3-4H,2H2,1H3,(H2,6,7)/t3-,4-/m1/s1
InChIKeyHZNLMVXDKYVZDG-QWWZWVQMSA-N
XLogP0.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methylcyclopropyl] carbamate?
The IUPAC name of [(1R,2R)-2-methylcyclopropyl] carbamate (CID 171719227) is [(1R,2R)-2-methylcyclopropyl] carbamate.
What is the SMILES notation for [(1R,2R)-2-methylcyclopropyl] carbamate?
The canonical SMILES for [(1R,2R)-2-methylcyclopropyl] carbamate is C[C@@H]1C[C@H]1OC(N)=O.
What is the InChIKey of [(1R,2R)-2-methylcyclopropyl] carbamate?
The InChIKey is HZNLMVXDKYVZDG-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-2-4(3)8-5(6)7/h3-4H,2H2,1H3,(H2,6,7)/t3-,4-/m1/s1.
What are the key properties of [(1R,2R)-2-methylcyclopropyl] carbamate?
[(1R,2R)-2-methylcyclopropyl] carbamate has a molecular weight of 115.13 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methylcyclopropyl] carbamate is sourced from PubChem (CID 171719227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).