[[1-cyclopropyl-3-(2-methoxyphenyl)prop-2-enylidene]amino]urea

C14H17N3O2 — CID 165343296

IUPAC[[1-cyclopropyl-3-(2-methoxyphenyl)prop-2-enylidene]amino]urea
SMILESCOc1ccccc1C=CC(=NNC(N)=O)C1CC1
InChIInChI=1S/C14H17N3O2/c1-19-13-5-3-2-4-11(13)8-9-12(10-6-7-10)16-17-14(15)18/h2-5,8-10H,6-7H2,1H3,(H3,15,17,18)
InChIKeyPENGPSOCQZACRY-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.14
Rot. Bonds5

About [[1-cyclopropyl-3-(2-methoxyphenyl)prop-2-enylidene]amino]urea

[[1-cyclopropyl-3-(2-methoxyphenyl)prop-2-enylidene]amino]urea (PubChem CID 165343296) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [[1-cyclopropyl-3-(2-methoxyphenyl)prop-2-enylidene]amino]urea.

Molecular Properties

Compound Name[[1-cyclopropyl-3-(2-methoxyphenyl)prop-2-enylidene]amino]urea
PubChem CID165343296
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[[1-cyclopropyl-3-(2-methoxyphenyl)prop-2-enylidene]amino]urea
SMILESCOc1ccccc1C=CC(=NNC(N)=O)C1CC1
InChIInChI=1S/C14H17N3O2/c1-19-13-5-3-2-4-11(13)8-9-12(10-6-7-10)16-17-14(15)18/h2-5,8-10H,6-7H2,1H3,(H3,15,17,18)
InChIKeyPENGPSOCQZACRY-UHFFFAOYSA-N
XLogP2.14
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-(2-methoxyphenyl)prop-2-enyl cyclopropanecarboxylate
CID 54289019
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]cyclohexanecarbohydrazide
CID 927016
[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541665
3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 2929140
(2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541550
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
(E)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 6979569
(E)-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 104957085
1-(azepan-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 4506724
4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid
CID 120509651
1-[2-(aminomethyl)piperidin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 126795170

Frequently Asked Questions

What is the IUPAC name of [[1-cyclopropyl-3-(2-methoxyphenyl)prop-2-enylidene]amino]urea?
The IUPAC name of [[1-cyclopropyl-3-(2-methoxyphenyl)prop-2-enylidene]amino]urea (CID 165343296) is [[1-cyclopropyl-3-(2-methoxyphenyl)prop-2-enylidene]amino]urea.
What is the SMILES notation for [[1-cyclopropyl-3-(2-methoxyphenyl)prop-2-enylidene]amino]urea?
The canonical SMILES for [[1-cyclopropyl-3-(2-methoxyphenyl)prop-2-enylidene]amino]urea is COc1ccccc1C=CC(=NNC(N)=O)C1CC1.
What is the InChIKey of [[1-cyclopropyl-3-(2-methoxyphenyl)prop-2-enylidene]amino]urea?
The InChIKey is PENGPSOCQZACRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-13-5-3-2-4-11(13)8-9-12(10-6-7-10)16-17-14(15)18/h2-5,8-10H,6-7H2,1H3,(H3,15,17,18).
What are the key properties of [[1-cyclopropyl-3-(2-methoxyphenyl)prop-2-enylidene]amino]urea?
[[1-cyclopropyl-3-(2-methoxyphenyl)prop-2-enylidene]amino]urea has a molecular weight of 259.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-cyclopropyl-3-(2-methoxyphenyl)prop-2-enylidene]amino]urea is sourced from PubChem (CID 165343296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).