1-methyl-3-[1-(oxolan-3-yl)propyl]urea

C9H18N2O2 — CID 131131539

IUPAC1-methyl-3-[1-(oxolan-3-yl)propyl]urea
SMILESCCC(NC(=O)NC)C1CCOC1
InChIInChI=1S/C9H18N2O2/c1-3-8(11-9(12)10-2)7-4-5-13-6-7/h7-8H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyKNPPJEAPLTVFCU-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.73
Rot. Bonds3

About 1-methyl-3-[1-(oxolan-3-yl)propyl]urea

1-methyl-3-[1-(oxolan-3-yl)propyl]urea (PubChem CID 131131539) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-methyl-3-[1-(oxolan-3-yl)propyl]urea.

Molecular Properties

Compound Name1-methyl-3-[1-(oxolan-3-yl)propyl]urea
PubChem CID131131539
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-methyl-3-[1-(oxolan-3-yl)propyl]urea
SMILESCCC(NC(=O)NC)C1CCOC1
InChIInChI=1S/C9H18N2O2/c1-3-8(11-9(12)10-2)7-4-5-13-6-7/h7-8H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyKNPPJEAPLTVFCU-UHFFFAOYSA-N
XLogP0.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-methyl-1-(oxolan-3-yl)pentan-1-amine
CID 82923243
1-amino-3-(1-cyclopropylpropyl)urea
CID 130727962
2-chloro-N-methyl-2-(oxolan-3-yl)acetamide
CID 62225479
3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol
CID 115727563
6-[1-(oxolan-3-yl)propylamino]hexan-1-ol
CID 115906779
2,2-dimethyl-3-[1-(oxolan-3-yl)propylamino]propan-1-ol
CID 115894970
N-[1-(oxolan-3-yl)propyl]pentan-1-amine
CID 115705770
N-[(1S)-1-[(3R)-oxolan-3-yl]propyl]-5-phenoxyfuran-2-carboxamide
CID 97220838
1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea
CID 124856109
1-(1-cyclopropylpropyl)-3-propan-2-ylurea
CID 68521863
1-(dimethylamino)-3-[1-(oxolan-3-yl)propylamino]propan-2-ol
CID 115718079
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115724005

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(oxolan-3-yl)propyl]urea?
The IUPAC name of 1-methyl-3-[1-(oxolan-3-yl)propyl]urea (CID 131131539) is 1-methyl-3-[1-(oxolan-3-yl)propyl]urea.
What is the SMILES notation for 1-methyl-3-[1-(oxolan-3-yl)propyl]urea?
The canonical SMILES for 1-methyl-3-[1-(oxolan-3-yl)propyl]urea is CCC(NC(=O)NC)C1CCOC1.
What is the InChIKey of 1-methyl-3-[1-(oxolan-3-yl)propyl]urea?
The InChIKey is KNPPJEAPLTVFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-8(11-9(12)10-2)7-4-5-13-6-7/h7-8H,3-6H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-methyl-3-[1-(oxolan-3-yl)propyl]urea?
1-methyl-3-[1-(oxolan-3-yl)propyl]urea has a molecular weight of 186.25 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(oxolan-3-yl)propyl]urea is sourced from PubChem (CID 131131539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).