1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

C12H20N2O3 — CID 75426516

IUPAC1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NCC1(CO)CC1)NC1CC2CCC1O2
InChIInChI=1S/C12H20N2O3/c15-7-12(3-4-12)6-13-11(16)14-9-5-8-1-2-10(9)17-8/h8-10,15H,1-7H2,(H2,13,14,16)
InChIKeyMQBBRRHLVYKHLC-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.38
Rot. Bonds4

About 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (PubChem CID 75426516) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
PubChem CID75426516
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NCC1(CO)CC1)NC1CC2CCC1O2
InChIInChI=1S/C12H20N2O3/c15-7-12(3-4-12)6-13-11(16)14-9-5-8-1-2-10(9)17-8/h8-10,15H,1-7H2,(H2,13,14,16)
InChIKeyMQBBRRHLVYKHLC-UHFFFAOYSA-N
XLogP0.38
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-Ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75380040
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea
CID 71919296
1-[3-(Cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 71970570
1-[(1-Cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75379965
1-Cyclohexyl-1-(cyclopropylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75426482
1-(2-Hydroxycyclohexyl)-3-(oxolan-3-yl)urea
CID 80260464
1-(Cyclopropylmethyl)-1-(2-hydroxyethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 84587262
1-(1-Cyclopropylethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 84587263
1-[(1-Ethylcyclobutyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 84587274
1-(Cyclobutylmethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 84587275
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98227718
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98227719

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (CID 75426516) is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is O=C(NCC1(CO)CC1)NC1CC2CCC1O2.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The InChIKey is MQBBRRHLVYKHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-7-12(3-4-12)6-13-11(16)14-9-5-8-1-2-10(9)17-8/h8-10,15H,1-7H2,(H2,13,14,16).
What are the key properties of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea has a molecular weight of 240.30 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is sourced from PubChem (CID 75426516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).