cyclohexa-1,5-dien-1-ylmethylurea

C8H12N2O — CID 18766888

IUPACcyclohexa-1,5-dien-1-ylmethylurea
SMILESNC(=O)NCC1=CCCC=C1
InChIInChI=1S/C8H12N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h2,4-5H,1,3,6H2,(H3,9,10,11)
InChIKeyXGENBBBGUZNLPN-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.93
Rot. Bonds2

About cyclohexa-1,5-dien-1-ylmethylurea

cyclohexa-1,5-dien-1-ylmethylurea (PubChem CID 18766888) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-ylmethylurea.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-ylmethylurea
PubChem CID18766888
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Namecyclohexa-1,5-dien-1-ylmethylurea
SMILESNC(=O)NCC1=CCCC=C1
InChIInChI=1S/C8H12N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h2,4-5H,1,3,6H2,(H3,9,10,11)
InChIKeyXGENBBBGUZNLPN-UHFFFAOYSA-N
XLogP0.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-ylmethylurea?
The IUPAC name of cyclohexa-1,5-dien-1-ylmethylurea (CID 18766888) is cyclohexa-1,5-dien-1-ylmethylurea.
What is the SMILES notation for cyclohexa-1,5-dien-1-ylmethylurea?
The canonical SMILES for cyclohexa-1,5-dien-1-ylmethylurea is NC(=O)NCC1=CCCC=C1.
What is the InChIKey of cyclohexa-1,5-dien-1-ylmethylurea?
The InChIKey is XGENBBBGUZNLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h2,4-5H,1,3,6H2,(H3,9,10,11).
What are the key properties of cyclohexa-1,5-dien-1-ylmethylurea?
cyclohexa-1,5-dien-1-ylmethylurea has a molecular weight of 152.20 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-ylmethylurea is sourced from PubChem (CID 18766888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).