(3-methoxyoxolan-3-yl)methylurea

C7H14N2O3 — CID 104704481

IUPAC(3-methoxyoxolan-3-yl)methylurea
SMILESCOC1(CNC(N)=O)CCOC1
InChIInChI=1S/C7H14N2O3/c1-11-7(2-3-12-5-7)4-9-6(8)10/h2-5H2,1H3,(H3,8,9,10)
InChIKeyMFQHWMBCYKDNCP-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.54
Rot. Bonds3

About (3-methoxyoxolan-3-yl)methylurea

(3-methoxyoxolan-3-yl)methylurea (PubChem CID 104704481) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (3-methoxyoxolan-3-yl)methylurea.

Molecular Properties

Compound Name(3-methoxyoxolan-3-yl)methylurea
PubChem CID104704481
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(3-methoxyoxolan-3-yl)methylurea
SMILESCOC1(CNC(N)=O)CCOC1
InChIInChI=1S/C7H14N2O3/c1-11-7(2-3-12-5-7)4-9-6(8)10/h2-5H2,1H3,(H3,8,9,10)
InChIKeyMFQHWMBCYKDNCP-UHFFFAOYSA-N
XLogP-0.54
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841
1-carbamothioyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide
CID 104761733
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide
CID 113450284
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004
N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide
CID 113450295
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104761417
2-[(3-methoxyoxolan-3-yl)methylamino]propanamide
CID 104704803
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid
CID 104764175
(2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 113450272
4-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104766199
N-[(3-methoxyoxolan-3-yl)methyl]-2-(methylamino)propanamide
CID 104761397

Frequently Asked Questions

What is the IUPAC name of (3-methoxyoxolan-3-yl)methylurea?
The IUPAC name of (3-methoxyoxolan-3-yl)methylurea (CID 104704481) is (3-methoxyoxolan-3-yl)methylurea.
What is the SMILES notation for (3-methoxyoxolan-3-yl)methylurea?
The canonical SMILES for (3-methoxyoxolan-3-yl)methylurea is COC1(CNC(N)=O)CCOC1.
What is the InChIKey of (3-methoxyoxolan-3-yl)methylurea?
The InChIKey is MFQHWMBCYKDNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-11-7(2-3-12-5-7)4-9-6(8)10/h2-5H2,1H3,(H3,8,9,10).
What are the key properties of (3-methoxyoxolan-3-yl)methylurea?
(3-methoxyoxolan-3-yl)methylurea has a molecular weight of 174.20 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyoxolan-3-yl)methylurea is sourced from PubChem (CID 104704481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).