(4-methyloxan-4-yl)carbamic acid

C7H13NO3 — CID 154664618

IUPAC(4-methyloxan-4-yl)carbamic acid
SMILESCC1(NC(=O)O)CCOCC1
InChIInChI=1S/C7H13NO3/c1-7(8-6(9)10)2-4-11-5-3-7/h8H,2-5H2,1H3,(H,9,10)
InChIKeyDZVYHOZLHBBXTR-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.82
Rot. Bonds1

About (4-methyloxan-4-yl)carbamic acid

(4-methyloxan-4-yl)carbamic acid (PubChem CID 154664618) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (4-methyloxan-4-yl)carbamic acid.

Molecular Properties

Compound Name(4-methyloxan-4-yl)carbamic acid
PubChem CID154664618
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(4-methyloxan-4-yl)carbamic acid
SMILESCC1(NC(=O)O)CCOCC1
InChIInChI=1S/C7H13NO3/c1-7(8-6(9)10)2-4-11-5-3-7/h8H,2-5H2,1H3,(H,9,10)
InChIKeyDZVYHOZLHBBXTR-UHFFFAOYSA-N
XLogP0.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methyloxan-4-yl)carbamic acid?
The IUPAC name of (4-methyloxan-4-yl)carbamic acid (CID 154664618) is (4-methyloxan-4-yl)carbamic acid.
What is the SMILES notation for (4-methyloxan-4-yl)carbamic acid?
The canonical SMILES for (4-methyloxan-4-yl)carbamic acid is CC1(NC(=O)O)CCOCC1.
What is the InChIKey of (4-methyloxan-4-yl)carbamic acid?
The InChIKey is DZVYHOZLHBBXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(8-6(9)10)2-4-11-5-3-7/h8H,2-5H2,1H3,(H,9,10).
What are the key properties of (4-methyloxan-4-yl)carbamic acid?
(4-methyloxan-4-yl)carbamic acid has a molecular weight of 159.18 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyloxan-4-yl)carbamic acid is sourced from PubChem (CID 154664618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).