[(3-methylcyclohex-3-en-1-ylidene)amino]urea

C8H13N3O — CID 130713139

IUPAC[(3-methylcyclohex-3-en-1-ylidene)amino]urea
SMILESCC1=CCCC(=NNC(N)=O)C1
InChIInChI=1S/C8H13N3O/c1-6-3-2-4-7(5-6)10-11-8(9)12/h3H,2,4-5H2,1H3,(H3,9,11,12)
InChIKeyPFQJMSGIJCMIOW-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.14
Rot. Bonds1

About [(3-methylcyclohex-3-en-1-ylidene)amino]urea

[(3-methylcyclohex-3-en-1-ylidene)amino]urea (PubChem CID 130713139) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is [(3-methylcyclohex-3-en-1-ylidene)amino]urea.

Molecular Properties

Compound Name[(3-methylcyclohex-3-en-1-ylidene)amino]urea
PubChem CID130713139
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name[(3-methylcyclohex-3-en-1-ylidene)amino]urea
SMILESCC1=CCCC(=NNC(N)=O)C1
InChIInChI=1S/C8H13N3O/c1-6-3-2-4-7(5-6)10-11-8(9)12/h3H,2,4-5H2,1H3,(H3,9,11,12)
InChIKeyPFQJMSGIJCMIOW-UHFFFAOYSA-N
XLogP1.14
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(3-methylcyclopentylidene)amino]urea
CID 5380591
(oxolan-3-ylideneamino)urea
CID 77013743
ethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate
CID 3915088
[(4-methoxycyclohexylidene)amino]urea
CID 112693050
[(E)-(3-methylcyclohexylidene)amino]urea
CID 5357776
[(Z)-(1,1-dioxothiolan-3-ylidene)amino]urea
CID 60728931
[[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea
CID 6934624
[(E)-(3,3,5-trimethylcyclohexylidene)amino]urea
CID 6181691
[(Z)-(3-methylcyclooctylidene)amino]urea
CID 90482071
[(Z)-[(5R)-5-hydroxycyclononylidene]amino]urea
CID 5412870
[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea
CID 779400
[(Z)-[(5S)-5-hydroxycyclononylidene]amino]urea
CID 5412869

Frequently Asked Questions

What is the IUPAC name of [(3-methylcyclohex-3-en-1-ylidene)amino]urea?
The IUPAC name of [(3-methylcyclohex-3-en-1-ylidene)amino]urea (CID 130713139) is [(3-methylcyclohex-3-en-1-ylidene)amino]urea.
What is the SMILES notation for [(3-methylcyclohex-3-en-1-ylidene)amino]urea?
The canonical SMILES for [(3-methylcyclohex-3-en-1-ylidene)amino]urea is CC1=CCCC(=NNC(N)=O)C1.
What is the InChIKey of [(3-methylcyclohex-3-en-1-ylidene)amino]urea?
The InChIKey is PFQJMSGIJCMIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-3-2-4-7(5-6)10-11-8(9)12/h3H,2,4-5H2,1H3,(H3,9,11,12).
What are the key properties of [(3-methylcyclohex-3-en-1-ylidene)amino]urea?
[(3-methylcyclohex-3-en-1-ylidene)amino]urea has a molecular weight of 167.21 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methylcyclohex-3-en-1-ylidene)amino]urea is sourced from PubChem (CID 130713139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).