(4-methyloxan-4-yl) carbamate

C7H13NO3 — CID 141404618

IUPAC(4-methyloxan-4-yl) carbamate
SMILESCC1(OC(N)=O)CCOCC1
InChIInChI=1S/C7H13NO3/c1-7(11-6(8)9)2-4-10-5-3-7/h2-5H2,1H3,(H2,8,9)
InChIKeyKHLXWJQHZNUZSX-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.65
Rot. Bonds1

About (4-methyloxan-4-yl) carbamate

(4-methyloxan-4-yl) carbamate (PubChem CID 141404618) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (4-methyloxan-4-yl) carbamate.

Molecular Properties

Compound Name(4-methyloxan-4-yl) carbamate
PubChem CID141404618
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(4-methyloxan-4-yl) carbamate
SMILESCC1(OC(N)=O)CCOCC1
InChIInChI=1S/C7H13NO3/c1-7(11-6(8)9)2-4-10-5-3-7/h2-5H2,1H3,(H2,8,9)
InChIKeyKHLXWJQHZNUZSX-UHFFFAOYSA-N
XLogP0.65
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-methyloxan-4-yl) carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methyloxan-4-yl) carbamate?
The IUPAC name of (4-methyloxan-4-yl) carbamate (CID 141404618) is (4-methyloxan-4-yl) carbamate.
What is the SMILES notation for (4-methyloxan-4-yl) carbamate?
The canonical SMILES for (4-methyloxan-4-yl) carbamate is CC1(OC(N)=O)CCOCC1.
What is the InChIKey of (4-methyloxan-4-yl) carbamate?
The InChIKey is KHLXWJQHZNUZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(11-6(8)9)2-4-10-5-3-7/h2-5H2,1H3,(H2,8,9).
What are the key properties of (4-methyloxan-4-yl) carbamate?
(4-methyloxan-4-yl) carbamate has a molecular weight of 159.18 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyloxan-4-yl) carbamate is sourced from PubChem (CID 141404618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).