1-amino-3-benzyl-1-prop-2-enylurea

C11H15N3O — CID 57428112

IUPAC1-amino-3-benzyl-1-prop-2-enylurea
SMILESC=CCN(N)C(=O)NCc1ccccc1
InChIInChI=1S/C11H15N3O/c1-2-8-14(12)11(15)13-9-10-6-4-3-5-7-10/h2-7H,1,8-9,12H2,(H,13,15)
InChIKeyMMNYCRTYVUTPAP-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.26
Rot. Bonds4

About 1-amino-3-benzyl-1-prop-2-enylurea

1-amino-3-benzyl-1-prop-2-enylurea (PubChem CID 57428112) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-amino-3-benzyl-1-prop-2-enylurea.

Molecular Properties

Compound Name1-amino-3-benzyl-1-prop-2-enylurea
PubChem CID57428112
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-amino-3-benzyl-1-prop-2-enylurea
SMILESC=CCN(N)C(=O)NCc1ccccc1
InChIInChI=1S/C11H15N3O/c1-2-8-14(12)11(15)13-9-10-6-4-3-5-7-10/h2-7H,1,8-9,12H2,(H,13,15)
InChIKeyMMNYCRTYVUTPAP-UHFFFAOYSA-N
XLogP1.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-(benzylcarbamoyl)-2-prop-2-enylhydrazinyl]acetate
CID 57428113
3-benzyl-1,1-bis(prop-2-enyl)thiourea
CID 19653097
3-[[2-(benzylamino)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82326878
3-benzyl-1-hydroxy-1-methylurea
CID 22900753
3-[(4-fluorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108867664
3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108899227
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
benzylcarbamoyl(prop-2-enyl)azanium
CID 143461781
2-(benzylamino)-N-prop-2-enylacetamide
CID 11160015
benzene;benzylurea;hydrazine
CID 68793593
1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-prop-2-enylurea
CID 87000266
3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108868165

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-benzyl-1-prop-2-enylurea?
The IUPAC name of 1-amino-3-benzyl-1-prop-2-enylurea (CID 57428112) is 1-amino-3-benzyl-1-prop-2-enylurea.
What is the SMILES notation for 1-amino-3-benzyl-1-prop-2-enylurea?
The canonical SMILES for 1-amino-3-benzyl-1-prop-2-enylurea is C=CCN(N)C(=O)NCc1ccccc1.
What is the InChIKey of 1-amino-3-benzyl-1-prop-2-enylurea?
The InChIKey is MMNYCRTYVUTPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-8-14(12)11(15)13-9-10-6-4-3-5-7-10/h2-7H,1,8-9,12H2,(H,13,15).
What are the key properties of 1-amino-3-benzyl-1-prop-2-enylurea?
1-amino-3-benzyl-1-prop-2-enylurea has a molecular weight of 205.26 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-benzyl-1-prop-2-enylurea is sourced from PubChem (CID 57428112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).