(1-propan-2-ylazetidin-2-yl)methyl carbamate

C8H16N2O2 — CID 175128148

IUPAC(1-propan-2-ylazetidin-2-yl)methyl carbamate
SMILESCC(C)N1CCC1COC(N)=O
InChIInChI=1S/C8H16N2O2/c1-6(2)10-4-3-7(10)5-12-8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11)
InChIKeyDEQFPYDRILOONK-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.56
Rot. Bonds3

About (1-propan-2-ylazetidin-2-yl)methyl carbamate

(1-propan-2-ylazetidin-2-yl)methyl carbamate (PubChem CID 175128148) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (1-propan-2-ylazetidin-2-yl)methyl carbamate.

Molecular Properties

Compound Name(1-propan-2-ylazetidin-2-yl)methyl carbamate
PubChem CID175128148
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(1-propan-2-ylazetidin-2-yl)methyl carbamate
SMILESCC(C)N1CCC1COC(N)=O
InChIInChI=1S/C8H16N2O2/c1-6(2)10-4-3-7(10)5-12-8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11)
InChIKeyDEQFPYDRILOONK-UHFFFAOYSA-N
XLogP0.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylazetidin-2-yl)methyl carbamate?
The IUPAC name of (1-propan-2-ylazetidin-2-yl)methyl carbamate (CID 175128148) is (1-propan-2-ylazetidin-2-yl)methyl carbamate.
What is the SMILES notation for (1-propan-2-ylazetidin-2-yl)methyl carbamate?
The canonical SMILES for (1-propan-2-ylazetidin-2-yl)methyl carbamate is CC(C)N1CCC1COC(N)=O.
What is the InChIKey of (1-propan-2-ylazetidin-2-yl)methyl carbamate?
The InChIKey is DEQFPYDRILOONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(2)10-4-3-7(10)5-12-8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11).
What are the key properties of (1-propan-2-ylazetidin-2-yl)methyl carbamate?
(1-propan-2-ylazetidin-2-yl)methyl carbamate has a molecular weight of 172.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylazetidin-2-yl)methyl carbamate is sourced from PubChem (CID 175128148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).