1-(4-aminophenyl)-3-prop-2-enylurea

C10H13N3O — CID 47002126

IUPAC1-(4-aminophenyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C10H13N3O/c1-2-7-12-10(14)13-9-5-3-8(11)4-6-9/h2-6H,1,7,11H2,(H2,12,13,14)
InChIKeyZEEYHONHWQBDAK-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.58
Rot. Bonds3

About 1-(4-aminophenyl)-3-prop-2-enylurea

1-(4-aminophenyl)-3-prop-2-enylurea (PubChem CID 47002126) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-prop-2-enylurea
PubChem CID47002126
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(4-aminophenyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C10H13N3O/c1-2-7-12-10(14)13-9-5-3-8(11)4-6-9/h2-6H,1,7,11H2,(H2,12,13,14)
InChIKeyZEEYHONHWQBDAK-UHFFFAOYSA-N
XLogP1.58
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxyphenyl)-3-prop-2-enylurea
CID 67731511
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 119278038
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride
CID 119278037
ethyl 4-(prop-2-enylcarbamoylamino)benzoate
CID 47146341
3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 47146192
1-(4-aminophenyl)-3-(2-chloroethyl)urea
CID 108896976
1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea
CID 83121373
(2S)-2-amino-3,3-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride
CID 119702311
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride
CID 120559670
ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate
CID 108865619
1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea
CID 61167083

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-prop-2-enylurea?
The IUPAC name of 1-(4-aminophenyl)-3-prop-2-enylurea (CID 47002126) is 1-(4-aminophenyl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(4-aminophenyl)-3-prop-2-enylurea?
The canonical SMILES for 1-(4-aminophenyl)-3-prop-2-enylurea is C=CCNC(=O)Nc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-prop-2-enylurea?
The InChIKey is ZEEYHONHWQBDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-7-12-10(14)13-9-5-3-8(11)4-6-9/h2-6H,1,7,11H2,(H2,12,13,14).
What are the key properties of 1-(4-aminophenyl)-3-prop-2-enylurea?
1-(4-aminophenyl)-3-prop-2-enylurea has a molecular weight of 191.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-prop-2-enylurea is sourced from PubChem (CID 47002126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).