1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea

C9H16N2O2 — CID 129365048

IUPAC1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(NC[C@H]1CCCO1)NC1CC1
InChIInChI=1S/C9H16N2O2/c12-9(11-7-3-4-7)10-6-8-2-1-5-13-8/h7-8H,1-6H2,(H2,10,11,12)/t8-/m1/s1
InChIKeyJIQBPKRQYFZCRL-MRVPVSSYSA-N
MW184.24 g/mol
LogP0.63
Rot. Bonds3

About 1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea

1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 129365048) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID129365048
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(NC[C@H]1CCCO1)NC1CC1
InChIInChI=1S/C9H16N2O2/c12-9(11-7-3-4-7)10-6-8-2-1-5-13-8/h7-8H,1-6H2,(H2,10,11,12)/t8-/m1/s1
InChIKeyJIQBPKRQYFZCRL-MRVPVSSYSA-N
XLogP0.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(oxolan-2-ylmethyl)urea
CID 2886315
1-cyclooctyl-3-(oxolan-2-ylmethyl)urea
CID 75865148
3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032045
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 2287959
1-cyclopropyl-3-[2-(oxan-2-yl)ethyl]urea
CID 103975410
3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63044466
1-(azepan-3-yl)-3-(oxan-2-ylmethyl)urea
CID 117235074
1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95762000
1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
CID 124853235
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
1-cyclohexyl-3-(oxiran-2-ylmethyl)urea
CID 102548390

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea (CID 129365048) is 1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea is O=C(NC[C@H]1CCCO1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is JIQBPKRQYFZCRL-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9(11-7-3-4-7)10-6-8-2-1-5-13-8/h7-8H,1-6H2,(H2,10,11,12)/t8-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea?
1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 184.24 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 129365048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).