cyclohexa-2,4-dien-1-ylurea

C7H10N2O — CID 18187419

IUPACcyclohexa-2,4-dien-1-ylurea
SMILESNC(=O)NC1C=CC=CC1
InChIInChI=1S/C7H10N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-4,6H,5H2,(H3,8,9,10)
InChIKeyRDTJDICUGFHKTG-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.54
Rot. Bonds1

About cyclohexa-2,4-dien-1-ylurea

cyclohexa-2,4-dien-1-ylurea (PubChem CID 18187419) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-ylurea.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-ylurea
PubChem CID18187419
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Namecyclohexa-2,4-dien-1-ylurea
SMILESNC(=O)NC1C=CC=CC1
InChIInChI=1S/C7H10N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-4,6H,5H2,(H3,8,9,10)
InChIKeyRDTJDICUGFHKTG-UHFFFAOYSA-N
XLogP0.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-Cycloheptatrienyl urea
CID 286070
(6-Fluoro-3-methylidenehepta-4,6-dien-2-yl)urea
CID 123389312
(3-Fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea
CID 123540131
(2-Fluoro-6-sulfanylidenecyclohexa-2,4-dien-1-yl)urea
CID 142666843
(3-Fluoro-6-sulfanylidenecyclohexa-2,4-dien-1-yl)urea
CID 142666848
2,3,6-Cycloheptatrienyl urea
CID 129812386
N,N'-di(cyclohepta-2,4,6-trien-1-yl)-urea
CID 134104947
[2-[(1E)-buta-1,3-dienyl]cyclopropyl]urea
CID 13609582
Cyclohexa-1,5-dien-1-ylmethylurea
CID 18766888
Cyclohex-3-en-1-ylurea
CID 20542809
(1-Aminocyclohexa-2,4-dien-1-yl)urea
CID 21247398
(5-Aminocyclohexa-1,3-dien-1-yl)urea
CID 21525059

Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-ylurea?
The IUPAC name of cyclohexa-2,4-dien-1-ylurea (CID 18187419) is cyclohexa-2,4-dien-1-ylurea.
What is the SMILES notation for cyclohexa-2,4-dien-1-ylurea?
The canonical SMILES for cyclohexa-2,4-dien-1-ylurea is NC(=O)NC1C=CC=CC1.
What is the InChIKey of cyclohexa-2,4-dien-1-ylurea?
The InChIKey is RDTJDICUGFHKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-4,6H,5H2,(H3,8,9,10).
What are the key properties of cyclohexa-2,4-dien-1-ylurea?
cyclohexa-2,4-dien-1-ylurea has a molecular weight of 138.17 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-ylurea is sourced from PubChem (CID 18187419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).