1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-phenylurea

C14H15N3O — CID 9241684

IUPAC1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-phenylurea
SMILESO=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)Nc1ccccc1
InChIInChI=1S/C14H15N3O/c18-14(15-11-6-2-1-3-7-11)17-16-13-9-10-5-4-8-12(10)13/h1-7,10,12H,8-9H2,(H2,15,17,18)/b16-13-/t10-,12+/m0/s1
InChIKeyYUGZCAJKPHMYHV-ZUZJPYFPSA-N
MW241.29 g/mol
LogP2.76
Rot. Bonds2

About 1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-phenylurea

1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-phenylurea (PubChem CID 9241684) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-phenylurea.

Molecular Properties

Compound Name1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-phenylurea
PubChem CID9241684
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-phenylurea
SMILESO=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)Nc1ccccc1
InChIInChI=1S/C14H15N3O/c18-14(15-11-6-2-1-3-7-11)17-16-13-9-10-5-4-8-12(10)13/h1-7,10,12H,8-9H2,(H2,15,17,18)/b16-13-/t10-,12+/m0/s1
InChIKeyYUGZCAJKPHMYHV-ZUZJPYFPSA-N
XLogP2.76
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-phenylurea?
The IUPAC name of 1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-phenylurea (CID 9241684) is 1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-phenylurea.
What is the SMILES notation for 1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-phenylurea?
The canonical SMILES for 1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-phenylurea is O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)Nc1ccccc1.
What is the InChIKey of 1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-phenylurea?
The InChIKey is YUGZCAJKPHMYHV-ZUZJPYFPSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14(15-11-6-2-1-3-7-11)17-16-13-9-10-5-4-8-12(10)13/h1-7,10,12H,8-9H2,(H2,15,17,18)/b16-13-/t10-,12+/m0/s1.
What are the key properties of 1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-phenylurea?
1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-phenylurea has a molecular weight of 241.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-phenylurea is sourced from PubChem (CID 9241684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).