1-phenyl-3-(propan-2-ylideneamino)urea

C10H13N3O — CID 904463

IUPAC1-phenyl-3-(propan-2-ylideneamino)urea
SMILESCC(C)=NNC(=O)Nc1ccccc1
InChIInChI=1S/C10H13N3O/c1-8(2)12-13-10(14)11-9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,11,13,14)
InChIKeyMUBXNIUEXMLKDP-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.20
Rot. Bonds2

About 1-phenyl-3-(propan-2-ylideneamino)urea

1-phenyl-3-(propan-2-ylideneamino)urea (PubChem CID 904463) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-phenyl-3-(propan-2-ylideneamino)urea.

Molecular Properties

Compound Name1-phenyl-3-(propan-2-ylideneamino)urea
PubChem CID904463
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-phenyl-3-(propan-2-ylideneamino)urea
SMILESCC(C)=NNC(=O)Nc1ccccc1
InChIInChI=1S/C10H13N3O/c1-8(2)12-13-10(14)11-9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,11,13,14)
InChIKeyMUBXNIUEXMLKDP-UHFFFAOYSA-N
XLogP2.20
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.20
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'}

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Related Compounds

Phenylurea
CID 6145
Hydrazinecarboxamide, N,2-diphenyl-
CID 69299
4-Phenylsemicarbazide hydrochloride
CID 79505
4-Phenylsemicarbazide
CID 10837
1,1-Dimethyl-4-phenylsemicarbazide
CID 226638
1-phenyl-3-[(E)-1-phenylhexylideneamino]urea
CID 6373500
4-methyl-2-pentanone N-phenylsemicarbazone
CID 5718782
1,1-Diethyl-4-phenylsemicarbazide
CID 552344
2-(1-Methylethylidene)-N-phenylhydrazinecarbothioamide
CID 909362
1-Phenylethanone N-phenylsemicarbazone
CID 9584792
1-[(E)-hexan-2-ylideneamino]-3-phenylurea
CID 9585232
N-methyl-N-nitroso-N'-phenylurea
CID 88945

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(propan-2-ylideneamino)urea?
The IUPAC name of 1-phenyl-3-(propan-2-ylideneamino)urea (CID 904463) is 1-phenyl-3-(propan-2-ylideneamino)urea.
What is the SMILES notation for 1-phenyl-3-(propan-2-ylideneamino)urea?
The canonical SMILES for 1-phenyl-3-(propan-2-ylideneamino)urea is CC(C)=NNC(=O)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-(propan-2-ylideneamino)urea?
The InChIKey is MUBXNIUEXMLKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8(2)12-13-10(14)11-9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,11,13,14).
What are the key properties of 1-phenyl-3-(propan-2-ylideneamino)urea?
1-phenyl-3-(propan-2-ylideneamino)urea has a molecular weight of 191.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(propan-2-ylideneamino)urea is sourced from PubChem (CID 904463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).