[(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea

C13H23N3O — CID 11897566

IUPAC[(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea
SMILESC/C(=N/NC(N)=O)[C@@H]1C[C@@]2(C)CC[C@@H]1C2(C)C
InChIInChI=1S/C13H23N3O/c1-8(15-16-11(14)17)9-7-13(4)6-5-10(9)12(13,2)3/h9-10H,5-7H2,1-4H3,(H3,14,16,17)/b15-8-/t9-,10-,13+/m0/s1
InChIKeyVFLILMXHJULMAP-RYUGJABSSA-N
MW237.35 g/mol
LogP2.49
Rot. Bonds2

About [(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea

[(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea (PubChem CID 11897566) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea
PubChem CID11897566
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea
SMILESC/C(=N/NC(N)=O)[C@@H]1C[C@@]2(C)CC[C@@H]1C2(C)C
InChIInChI=1S/C13H23N3O/c1-8(15-16-11(14)17)9-7-13(4)6-5-10(9)12(13,2)3/h9-10H,5-7H2,1-4H3,(H3,14,16,17)/b15-8-/t9-,10-,13+/m0/s1
InChIKeyVFLILMXHJULMAP-RYUGJABSSA-N
XLogP2.49
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea with MolForge

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Related Compounds

[(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea
CID 11897562
[(Z)-1-[(1R,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea
CID 7324857
N-[1-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethylidene]hydroxylamine
CID 2750895
[(Z)-1-[(1S,2S)-2-tert-butyl-2-methylcyclopropyl]ethylideneamino]urea
CID 5405593
[(Z)-1-[(2S)-2-bicyclo[2.2.2]octanyl]ethylideneamino]urea
CID 92526529
[(1R,2S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methyl acetate
CID 7054470
3-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 23424248
2-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 99646802
(NE)-N-[1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylidene]hydroxylamine
CID 51405756
cis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate
CID 7159280
[(Z)-1-[(1R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]ethylideneamino]urea
CID 172965576
(1-aminoethylideneamino)urea
CID 85436939

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea?
The IUPAC name of [(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea (CID 11897566) is [(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea.
What is the SMILES notation for [(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea?
The canonical SMILES for [(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea is C/C(=N/NC(N)=O)[C@@H]1C[C@@]2(C)CC[C@@H]1C2(C)C.
What is the InChIKey of [(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea?
The InChIKey is VFLILMXHJULMAP-RYUGJABSSA-N. The full InChI is InChI=1S/C13H23N3O/c1-8(15-16-11(14)17)9-7-13(4)6-5-10(9)12(13,2)3/h9-10H,5-7H2,1-4H3,(H3,14,16,17)/b15-8-/t9-,10-,13+/m0/s1.
What are the key properties of [(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea?
[(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea has a molecular weight of 237.35 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea is sourced from PubChem (CID 11897566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).