[3-(prop-2-ynylamino)phenyl]urea

C10H11N3O — CID 63951484

IUPAC[3-(prop-2-ynylamino)phenyl]urea
SMILESC#CCNc1cccc(NC(N)=O)c1
InChIInChI=1S/C10H11N3O/c1-2-6-12-8-4-3-5-9(7-8)13-10(11)14/h1,3-5,7,12H,6H2,(H3,11,13,14)
InChIKeyCPDUCZHVFWRLSH-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.22
Rot. Bonds3

About [3-(prop-2-ynylamino)phenyl]urea

[3-(prop-2-ynylamino)phenyl]urea (PubChem CID 63951484) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is [3-(prop-2-ynylamino)phenyl]urea.

Molecular Properties

Compound Name[3-(prop-2-ynylamino)phenyl]urea
PubChem CID63951484
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name[3-(prop-2-ynylamino)phenyl]urea
SMILESC#CCNc1cccc(NC(N)=O)c1
InChIInChI=1S/C10H11N3O/c1-2-6-12-8-4-3-5-9(7-8)13-10(11)14/h1,3-5,7,12H,6H2,(H3,11,13,14)
InChIKeyCPDUCZHVFWRLSH-UHFFFAOYSA-N
XLogP1.22
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea
CID 43744507
[3-(methylamino)phenyl]urea
CID 23558981
[3-(3-methylbutylamino)phenyl]urea
CID 43744542
[3-[(2-hydroxyphenyl)methylamino]phenyl]urea
CID 43744546
[3-(2,3-dihydroxypropylamino)phenyl]urea
CID 23202913
[3-(chloroamino)phenyl]urea
CID 155328094
N-ethyl-3-(prop-2-ynylamino)benzamide
CID 60681699
3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide
CID 62670686
2-amino-N-[3-(carbamoylamino)phenyl]butanamide
CID 43710987
2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76888107
[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea
CID 64591407
[3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea
CID 103944178

Frequently Asked Questions

What is the IUPAC name of [3-(prop-2-ynylamino)phenyl]urea?
The IUPAC name of [3-(prop-2-ynylamino)phenyl]urea (CID 63951484) is [3-(prop-2-ynylamino)phenyl]urea.
What is the SMILES notation for [3-(prop-2-ynylamino)phenyl]urea?
The canonical SMILES for [3-(prop-2-ynylamino)phenyl]urea is C#CCNc1cccc(NC(N)=O)c1.
What is the InChIKey of [3-(prop-2-ynylamino)phenyl]urea?
The InChIKey is CPDUCZHVFWRLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-6-12-8-4-3-5-9(7-8)13-10(11)14/h1,3-5,7,12H,6H2,(H3,11,13,14).
What are the key properties of [3-(prop-2-ynylamino)phenyl]urea?
[3-(prop-2-ynylamino)phenyl]urea has a molecular weight of 189.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(prop-2-ynylamino)phenyl]urea is sourced from PubChem (CID 63951484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).