1-hydroxy-1-[(1R)-4-phenylmethoxyiminocyclopent-2-en-1-yl]urea

C13H15N3O3 — CID 54445471

IUPAC1-hydroxy-1-[(1R)-4-phenylmethoxyiminocyclopent-2-en-1-yl]urea
SMILESNC(=O)N(O)[C@H]1C=CC(=NOCc2ccccc2)C1
InChIInChI=1S/C13H15N3O3/c14-13(17)16(18)12-7-6-11(8-12)15-19-9-10-4-2-1-3-5-10/h1-7,12,18H,8-9H2,(H2,14,17)/t12-/m0/s1
InChIKeyWRENLESVYRVWDM-LBPRGKRZSA-N
MW261.28 g/mol
LogP1.66
Rot. Bonds4

About 1-hydroxy-1-[(1R)-4-phenylmethoxyiminocyclopent-2-en-1-yl]urea

1-hydroxy-1-[(1R)-4-phenylmethoxyiminocyclopent-2-en-1-yl]urea (PubChem CID 54445471) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-hydroxy-1-[(1R)-4-phenylmethoxyiminocyclopent-2-en-1-yl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[(1R)-4-phenylmethoxyiminocyclopent-2-en-1-yl]urea
PubChem CID54445471
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name1-hydroxy-1-[(1R)-4-phenylmethoxyiminocyclopent-2-en-1-yl]urea
SMILESNC(=O)N(O)[C@H]1C=CC(=NOCc2ccccc2)C1
InChIInChI=1S/C13H15N3O3/c14-13(17)16(18)12-7-6-11(8-12)15-19-9-10-4-2-1-3-5-10/h1-7,12,18H,8-9H2,(H2,14,17)/t12-/m0/s1
InChIKeyWRENLESVYRVWDM-LBPRGKRZSA-N
XLogP1.66
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-hydroxy-1-[(1R)-4-phenylmethoxyiminocyclopent-2-en-1-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[5-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]-1-hydroxyurea
CID 19426831
1-[(1R)-4-[(4-fluorophenyl)methoxyimino]cyclopent-2-en-1-yl]-1-hydroxyurea
CID 53706501
1-[(1S)-3-[(4-fluorophenyl)methoxyamino]cyclopenta-2,4-dien-1-yl]-1-hydroxyurea
CID 57171016
1-[(1R,4Z)-4-[(4-fluorophenyl)methoxyimino]cyclopent-2-en-1-yl]-1-hydroxyurea
CID 88310325
3-Benzyloxyimino-1-hydroxy-2-pyrrolidinone
CID 129798963
1-Butyl-1-phenylmethoxyurea
CID 134883738
1-Ethyl-1-phenylmethoxyurea
CID 134896719
1-Phenylmethoxy-1-propylurea
CID 134896734
1-Phenylmethoxy-1-propan-2-ylurea
CID 134896768
1-Hydroxy-1-[1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethyl]urea
CID 15388853
1-hydroxy-1-[(4Z)-4-phenylmethoxyiminocyclopent-2-en-1-yl]urea
CID 19063234
1-[4-(3-Benzylperoxyiminocyclohexa-1,5-dien-1-yl)but-3-yn-2-yl]-1-hydroxyurea
CID 53632084

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[(1R)-4-phenylmethoxyiminocyclopent-2-en-1-yl]urea?
The IUPAC name of 1-hydroxy-1-[(1R)-4-phenylmethoxyiminocyclopent-2-en-1-yl]urea (CID 54445471) is 1-hydroxy-1-[(1R)-4-phenylmethoxyiminocyclopent-2-en-1-yl]urea.
What is the SMILES notation for 1-hydroxy-1-[(1R)-4-phenylmethoxyiminocyclopent-2-en-1-yl]urea?
The canonical SMILES for 1-hydroxy-1-[(1R)-4-phenylmethoxyiminocyclopent-2-en-1-yl]urea is NC(=O)N(O)[C@H]1C=CC(=NOCc2ccccc2)C1.
What is the InChIKey of 1-hydroxy-1-[(1R)-4-phenylmethoxyiminocyclopent-2-en-1-yl]urea?
The InChIKey is WRENLESVYRVWDM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15N3O3/c14-13(17)16(18)12-7-6-11(8-12)15-19-9-10-4-2-1-3-5-10/h1-7,12,18H,8-9H2,(H2,14,17)/t12-/m0/s1.
What are the key properties of 1-hydroxy-1-[(1R)-4-phenylmethoxyiminocyclopent-2-en-1-yl]urea?
1-hydroxy-1-[(1R)-4-phenylmethoxyiminocyclopent-2-en-1-yl]urea has a molecular weight of 261.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[(1R)-4-phenylmethoxyiminocyclopent-2-en-1-yl]urea is sourced from PubChem (CID 54445471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).