1-hydroxy-1-[(1S)-3-(phenylmethoxyamino)cyclopenta-2,4-dien-1-yl]urea

C13H15N3O3 — CID 57048721

IUPAC1-hydroxy-1-[(1S)-3-(phenylmethoxyamino)cyclopenta-2,4-dien-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/h1-8,12,15,18H,9H2,(H2,14,17)/t12-/m0/s1
InChIKeyUKXRDEKUTDKZMD-LBPRGKRZSA-N
MW261.28 g/mol
LogP1.30
Rot. Bonds5

About 1-hydroxy-1-[(1S)-3-(phenylmethoxyamino)cyclopenta-2,4-dien-1-yl]urea

1-hydroxy-1-[(1S)-3-(phenylmethoxyamino)cyclopenta-2,4-dien-1-yl]urea (PubChem CID 57048721) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-hydroxy-1-[(1S)-3-(phenylmethoxyamino)cyclopenta-2,4-dien-1-yl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[(1S)-3-(phenylmethoxyamino)cyclopenta-2,4-dien-1-yl]urea
PubChem CID57048721
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name1-hydroxy-1-[(1S)-3-(phenylmethoxyamino)cyclopenta-2,4-dien-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/h1-8,12,15,18H,9H2,(H2,14,17)/t12-/m0/s1
InChIKeyUKXRDEKUTDKZMD-LBPRGKRZSA-N
XLogP1.30
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-[[5-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]-1-hydroxyurea
CID 57240534
1-[(1R,4Z)-4-[(4-fluorophenyl)methoxyimino]cyclopent-2-en-1-yl]-1-hydroxyurea
CID 88310325
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-[(4-Fluorophenyl)methoxy]-3-propan-2-ylurea
CID 154752561
1-Benzyloxy-2-imidazolidinone
CID 15675475
1-hydroxy-1-[(4Z)-4-phenylmethoxyiminocyclopent-2-en-1-yl]urea
CID 19063234
1-hydroxy-1-[(1R)-4-phenylmethoxyiminocyclopent-2-en-1-yl]urea
CID 54445471

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[(1S)-3-(phenylmethoxyamino)cyclopenta-2,4-dien-1-yl]urea?
The IUPAC name of 1-hydroxy-1-[(1S)-3-(phenylmethoxyamino)cyclopenta-2,4-dien-1-yl]urea (CID 57048721) is 1-hydroxy-1-[(1S)-3-(phenylmethoxyamino)cyclopenta-2,4-dien-1-yl]urea.
What is the SMILES notation for 1-hydroxy-1-[(1S)-3-(phenylmethoxyamino)cyclopenta-2,4-dien-1-yl]urea?
The canonical SMILES for 1-hydroxy-1-[(1S)-3-(phenylmethoxyamino)cyclopenta-2,4-dien-1-yl]urea is NC(=O)N(O)[C@H]1C=CC(NOCc2ccccc2)=C1.
What is the InChIKey of 1-hydroxy-1-[(1S)-3-(phenylmethoxyamino)cyclopenta-2,4-dien-1-yl]urea?
The InChIKey is UKXRDEKUTDKZMD-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/h1-8,12,15,18H,9H2,(H2,14,17)/t12-/m0/s1.
What are the key properties of 1-hydroxy-1-[(1S)-3-(phenylmethoxyamino)cyclopenta-2,4-dien-1-yl]urea?
1-hydroxy-1-[(1S)-3-(phenylmethoxyamino)cyclopenta-2,4-dien-1-yl]urea has a molecular weight of 261.28 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[(1S)-3-(phenylmethoxyamino)cyclopenta-2,4-dien-1-yl]urea is sourced from PubChem (CID 57048721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).