[(E)-2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethylideneamino]urea

C11H19N3O — CID 172937619

IUPAC[(E)-2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethylideneamino]urea
SMILESCC1=CC[C@@H](C/C=N/NC(N)=O)C1(C)C
InChIInChI=1S/C11H19N3O/c1-8-4-5-9(11(8,2)3)6-7-13-14-10(12)15/h4,7,9H,5-6H2,1-3H3,(H3,12,14,15)/b13-7+/t9-/m0/s1
InChIKeyPAZIRMDVWSSYNT-PBJWJZLWSA-N
MW209.29 g/mol
LogP2.02
Rot. Bonds3

About [(E)-2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethylideneamino]urea

[(E)-2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethylideneamino]urea (PubChem CID 172937619) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [(E)-2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethylideneamino]urea.

Molecular Properties

Compound Name[(E)-2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethylideneamino]urea
PubChem CID172937619
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[(E)-2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethylideneamino]urea
SMILESCC1=CC[C@@H](C/C=N/NC(N)=O)C1(C)C
InChIInChI=1S/C11H19N3O/c1-8-4-5-9(11(8,2)3)6-7-13-14-10(12)15/h4,7,9H,5-6H2,1-3H3,(H3,12,14,15)/b13-7+/t9-/m0/s1
InChIKeyPAZIRMDVWSSYNT-PBJWJZLWSA-N
XLogP2.02
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.02
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

(2E)-2-{[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methylidene}hydrazinecarboxamide
CID 16465083
(2E)-2-(2,2,5-trimethylhex-4-en-1-ylidene)hydrazinecarboxamide
CID 6881178
[(E)-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]urea
CID 9665449
[[6-Methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylideneamino]urea
CID 3585877
Citronellalsemicarbazon
CID 85613960
(2,2,5-Trimethylhex-4-enylideneamino)urea
CID 1883559
[(6,6-Dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]urea
CID 3350705
2,2,5,9-Tetramethyl-3,4,8-decatrienal semicarbazone
CID 6874838
[(E)-(6-methylcyclohex-3-en-1-yl)methylideneamino]urea
CID 9562613
(2E)-2-[(4-methylcyclohex-3-en-1-yl)methylidene]hydrazinecarboxamide
CID 9641848
(2E)-2-[(2,4,6-trimethylcyclohex-3-en-1-yl)methylidene]hydrazinecarboxamide
CID 16465625
[(E)-6-methylhept-5-enylideneamino]urea
CID 54598905

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethylideneamino]urea?
The IUPAC name of [(E)-2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethylideneamino]urea (CID 172937619) is [(E)-2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethylideneamino]urea.
What is the SMILES notation for [(E)-2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethylideneamino]urea?
The canonical SMILES for [(E)-2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethylideneamino]urea is CC1=CC[C@@H](C/C=N/NC(N)=O)C1(C)C.
What is the InChIKey of [(E)-2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethylideneamino]urea?
The InChIKey is PAZIRMDVWSSYNT-PBJWJZLWSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-4-5-9(11(8,2)3)6-7-13-14-10(12)15/h4,7,9H,5-6H2,1-3H3,(H3,12,14,15)/b13-7+/t9-/m0/s1.
What are the key properties of [(E)-2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethylideneamino]urea?
[(E)-2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethylideneamino]urea has a molecular weight of 209.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethylideneamino]urea is sourced from PubChem (CID 172937619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).