1-[(E)-2-cyclopropylethenyl]-3-(5-hydroxynaphthalen-1-yl)urea

C16H16N2O2 — CID 108915737

IUPAC1-[(E)-2-cyclopropylethenyl]-3-(5-hydroxynaphthalen-1-yl)urea
SMILESO=C(N/C=C/C1CC1)Nc1cccc2c(O)cccc12
InChIInChI=1S/C16H16N2O2/c19-15-6-2-3-12-13(15)4-1-5-14(12)18-16(20)17-10-9-11-7-8-11/h1-6,9-11,19H,7-8H2,(H2,17,18,20)/b10-9+
InChIKeySETYTBFAANRISQ-MDZDMXLPSA-N
MW268.32 g/mol
LogP3.59
Rot. Bonds3

About 1-[(E)-2-cyclopropylethenyl]-3-(5-hydroxynaphthalen-1-yl)urea

1-[(E)-2-cyclopropylethenyl]-3-(5-hydroxynaphthalen-1-yl)urea (PubChem CID 108915737) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[(E)-2-cyclopropylethenyl]-3-(5-hydroxynaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopropylethenyl]-3-(5-hydroxynaphthalen-1-yl)urea
PubChem CID108915737
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-[(E)-2-cyclopropylethenyl]-3-(5-hydroxynaphthalen-1-yl)urea
SMILESO=C(N/C=C/C1CC1)Nc1cccc2c(O)cccc12
InChIInChI=1S/C16H16N2O2/c19-15-6-2-3-12-13(15)4-1-5-14(12)18-16(20)17-10-9-11-7-8-11/h1-6,9-11,19H,7-8H2,(H2,17,18,20)/b10-9+
InChIKeySETYTBFAANRISQ-MDZDMXLPSA-N
XLogP3.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopropylethenyl]-3-(5-hydroxynaphthalen-1-yl)urea?
The IUPAC name of 1-[(E)-2-cyclopropylethenyl]-3-(5-hydroxynaphthalen-1-yl)urea (CID 108915737) is 1-[(E)-2-cyclopropylethenyl]-3-(5-hydroxynaphthalen-1-yl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopropylethenyl]-3-(5-hydroxynaphthalen-1-yl)urea?
The canonical SMILES for 1-[(E)-2-cyclopropylethenyl]-3-(5-hydroxynaphthalen-1-yl)urea is O=C(N/C=C/C1CC1)Nc1cccc2c(O)cccc12.
What is the InChIKey of 1-[(E)-2-cyclopropylethenyl]-3-(5-hydroxynaphthalen-1-yl)urea?
The InChIKey is SETYTBFAANRISQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-15-6-2-3-12-13(15)4-1-5-14(12)18-16(20)17-10-9-11-7-8-11/h1-6,9-11,19H,7-8H2,(H2,17,18,20)/b10-9+.
What are the key properties of 1-[(E)-2-cyclopropylethenyl]-3-(5-hydroxynaphthalen-1-yl)urea?
1-[(E)-2-cyclopropylethenyl]-3-(5-hydroxynaphthalen-1-yl)urea has a molecular weight of 268.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopropylethenyl]-3-(5-hydroxynaphthalen-1-yl)urea is sourced from PubChem (CID 108915737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).