(3-hydroxycyclohexyl)methylurea

C8H16N2O2 — CID 103708231

IUPAC(3-hydroxycyclohexyl)methylurea
SMILESNC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C8H16N2O2/c9-8(12)10-5-6-2-1-3-7(11)4-6/h6-7,11H,1-5H2,(H3,9,10,12)
InChIKeyXDNSVTFDGOJJMB-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.21
Rot. Bonds2

About (3-hydroxycyclohexyl)methylurea

(3-hydroxycyclohexyl)methylurea (PubChem CID 103708231) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (3-hydroxycyclohexyl)methylurea.

Molecular Properties

Compound Name(3-hydroxycyclohexyl)methylurea
PubChem CID103708231
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(3-hydroxycyclohexyl)methylurea
SMILESNC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C8H16N2O2/c9-8(12)10-5-6-2-1-3-7(11)4-6/h6-7,11H,1-5H2,(H3,9,10,12)
InChIKeyXDNSVTFDGOJJMB-UHFFFAOYSA-N
XLogP0.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxycyclohexyl)methylurea?
The IUPAC name of (3-hydroxycyclohexyl)methylurea (CID 103708231) is (3-hydroxycyclohexyl)methylurea.
What is the SMILES notation for (3-hydroxycyclohexyl)methylurea?
The canonical SMILES for (3-hydroxycyclohexyl)methylurea is NC(=O)NCC1CCCC(O)C1.
What is the InChIKey of (3-hydroxycyclohexyl)methylurea?
The InChIKey is XDNSVTFDGOJJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-8(12)10-5-6-2-1-3-7(11)4-6/h6-7,11H,1-5H2,(H3,9,10,12).
What are the key properties of (3-hydroxycyclohexyl)methylurea?
(3-hydroxycyclohexyl)methylurea has a molecular weight of 172.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxycyclohexyl)methylurea is sourced from PubChem (CID 103708231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).