(3-methyloxan-3-yl)urea

C7H14N2O2 — CID 103895709

IUPAC(3-methyloxan-3-yl)urea
SMILESCC1(NC(N)=O)CCCOC1
InChIInChI=1S/C7H14N2O2/c1-7(9-6(8)10)3-2-4-11-5-7/h2-5H2,1H3,(H3,8,9,10)
InChIKeyRZTLHEVZJIXEPY-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.22
Rot. Bonds1

About (3-methyloxan-3-yl)urea

(3-methyloxan-3-yl)urea (PubChem CID 103895709) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3-methyloxan-3-yl)urea.

Molecular Properties

Compound Name(3-methyloxan-3-yl)urea
PubChem CID103895709
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(3-methyloxan-3-yl)urea
SMILESCC1(NC(N)=O)CCCOC1
InChIInChI=1S/C7H14N2O2/c1-7(9-6(8)10)3-2-4-11-5-7/h2-5H2,1H3,(H3,8,9,10)
InChIKeyRZTLHEVZJIXEPY-UHFFFAOYSA-N
XLogP0.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butyl-3-(3-methyloxan-3-yl)urea
CID 103895710
1-Methyl-3-(3-methyloxan-3-yl)urea
CID 103895711
1-Ethyl-3-(3-methyloxan-3-yl)urea
CID 103895712
1-Tert-butyl-3-(3-methyloxan-3-yl)urea
CID 103895713
1-(3-Methyloxan-3-yl)-3-propylurea
CID 103895714
1,1-Dimethyl-3-(3-methyloxan-3-yl)urea
CID 103896191
1-Ethyl-1-methyl-3-(3-methyloxan-3-yl)urea
CID 105796198
(3-Methyloxan-3-yl)cyanamide
CID 105796668
1-Amino-3-(3-methyloxan-3-yl)urea
CID 105802661
[1-(Methoxymethyl)cyclobutyl]urea
CID 130695663

Frequently Asked Questions

What is the IUPAC name of (3-methyloxan-3-yl)urea?
The IUPAC name of (3-methyloxan-3-yl)urea (CID 103895709) is (3-methyloxan-3-yl)urea.
What is the SMILES notation for (3-methyloxan-3-yl)urea?
The canonical SMILES for (3-methyloxan-3-yl)urea is CC1(NC(N)=O)CCCOC1.
What is the InChIKey of (3-methyloxan-3-yl)urea?
The InChIKey is RZTLHEVZJIXEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-7(9-6(8)10)3-2-4-11-5-7/h2-5H2,1H3,(H3,8,9,10).
What are the key properties of (3-methyloxan-3-yl)urea?
(3-methyloxan-3-yl)urea has a molecular weight of 158.20 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxan-3-yl)urea is sourced from PubChem (CID 103895709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).