1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea

C9H18N2O2 — CID 130626358

IUPAC1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea
SMILESCC1CCC(NC(=O)NCCO)C1
InChIInChI=1S/C9H18N2O2/c1-7-2-3-8(6-7)11-9(13)10-4-5-12/h7-8,12H,2-6H2,1H3,(H2,10,11,13)
InChIKeyVMDUCDXHVHHEOW-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.47
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea

1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea (PubChem CID 130626358) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea
PubChem CID130626358
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea
SMILESCC1CCC(NC(=O)NCCO)C1
InChIInChI=1S/C9H18N2O2/c1-7-2-3-8(6-7)11-9(13)10-4-5-12/h7-8,12H,2-6H2,1H3,(H2,10,11,13)
InChIKeyVMDUCDXHVHHEOW-UHFFFAOYSA-N
XLogP0.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea (CID 130626358) is 1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea is CC1CCC(NC(=O)NCCO)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea?
The InChIKey is VMDUCDXHVHHEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7-2-3-8(6-7)11-9(13)10-4-5-12/h7-8,12H,2-6H2,1H3,(H2,10,11,13).
What are the key properties of 1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea?
1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea has a molecular weight of 186.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea is sourced from PubChem (CID 130626358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).