1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea

C16H16N2O — CID 108915883

IUPAC1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea
SMILESO=C(N/C=C/C1CC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H16N2O/c19-16(17-10-9-12-5-6-12)18-15-8-7-13-3-1-2-4-14(13)11-15/h1-4,7-12H,5-6H2,(H2,17,18,19)/b10-9+
InChIKeyIMXNSVRFLQVKBL-MDZDMXLPSA-N
MW252.32 g/mol
LogP3.88
Rot. Bonds3

About 1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea

1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea (PubChem CID 108915883) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea
PubChem CID108915883
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea
SMILESO=C(N/C=C/C1CC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H16N2O/c19-16(17-10-9-12-5-6-12)18-15-8-7-13-3-1-2-4-14(13)11-15/h1-4,7-12H,5-6H2,(H2,17,18,19)/b10-9+
InChIKeyIMXNSVRFLQVKBL-MDZDMXLPSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea
CID 108915680
1-[(E)-2-cyclopropylethenyl]-3-(1H-indazol-6-yl)urea
CID 108915904
1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea
CID 108911462
1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea
CID 108912023
1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea
CID 108912229
1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea
CID 108907013
1-methyl-3-naphthalen-2-ylurea
CID 3454681
ethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate
CID 108915686
4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzenesulfonic acid
CID 108911625
1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea
CID 108895519
1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea
CID 108912245
1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
CID 78832160

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea?
The IUPAC name of 1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea (CID 108915883) is 1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea?
The canonical SMILES for 1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea is O=C(N/C=C/C1CC1)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea?
The InChIKey is IMXNSVRFLQVKBL-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H16N2O/c19-16(17-10-9-12-5-6-12)18-15-8-7-13-3-1-2-4-14(13)11-15/h1-4,7-12H,5-6H2,(H2,17,18,19)/b10-9+.
What are the key properties of 1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea?
1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea has a molecular weight of 252.32 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 108915883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).