1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea

C9H16N2O2 — CID 115760744

IUPAC1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea
SMILESCN(C(=O)NC1CCOC1)C1CC1
InChIInChI=1S/C9H16N2O2/c1-11(8-2-3-8)9(12)10-7-4-5-13-6-7/h7-8H,2-6H2,1H3,(H,10,12)
InChIKeyZSFPDSJBTHLZAR-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.58
Rot. Bonds2

About 1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea

1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea (PubChem CID 115760744) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea
PubChem CID115760744
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea
SMILESCN(C(=O)NC1CCOC1)C1CC1
InChIInChI=1S/C9H16N2O2/c1-11(8-2-3-8)9(12)10-7-4-5-13-6-7/h7-8H,2-6H2,1H3,(H,10,12)
InChIKeyZSFPDSJBTHLZAR-UHFFFAOYSA-N
XLogP0.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea
CID 115760727
1,1-dimethyl-3-(oxolan-3-yl)urea
CID 110868817
1-cyclopropyl-1-ethyl-3-(oxolan-3-yl)urea
CID 115760678
1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea
CID 115760645
4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61203490
1-cyclopropyl-1-methyl-3-(3-methylcyclobutyl)urea
CID 130718605
1-cyclobutyl-1-methyl-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235748
1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea
CID 116654204
1-benzyl-1-methyl-3-(oxolan-3-yl)urea
CID 115759352
2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 58469645
1-(cyclopropylmethyl)-3-(oxolan-3-yl)-1-propan-2-ylurea
CID 116654988
cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319286

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea?
The IUPAC name of 1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea (CID 115760744) is 1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea is CN(C(=O)NC1CCOC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea?
The InChIKey is ZSFPDSJBTHLZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-11(8-2-3-8)9(12)10-7-4-5-13-6-7/h7-8H,2-6H2,1H3,(H,10,12).
What are the key properties of 1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea?
1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea has a molecular weight of 184.24 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115760744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).