3-(naphthalen-2-ylamino)cyclohex-2-en-1-one

C16H15NO — CID 823121

IUPAC3-(naphthalen-2-ylamino)cyclohex-2-en-1-one
SMILESO=C1C=C(Nc2ccc3ccccc3c2)CCC1
InChIInChI=1S/C16H15NO/c18-16-7-3-6-14(11-16)17-15-9-8-12-4-1-2-5-13(12)10-15/h1-2,4-5,8-11,17H,3,6-7H2
InChIKeyITZSIKSKBPIEOA-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.89
Rot. Bonds2

About 3-(naphthalen-2-ylamino)cyclohex-2-en-1-one

3-(naphthalen-2-ylamino)cyclohex-2-en-1-one (PubChem CID 823121) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(naphthalen-2-ylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(naphthalen-2-ylamino)cyclohex-2-en-1-one
PubChem CID823121
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name3-(naphthalen-2-ylamino)cyclohex-2-en-1-one
SMILESO=C1C=C(Nc2ccc3ccccc3c2)CCC1
InChIInChI=1S/C16H15NO/c18-16-7-3-6-14(11-16)17-15-9-8-12-4-1-2-5-13(12)10-15/h1-2,4-5,8-11,17H,3,6-7H2
InChIKeyITZSIKSKBPIEOA-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylamino)cyclohex-2-en-1-one?
The IUPAC name of 3-(naphthalen-2-ylamino)cyclohex-2-en-1-one (CID 823121) is 3-(naphthalen-2-ylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(naphthalen-2-ylamino)cyclohex-2-en-1-one?
The canonical SMILES for 3-(naphthalen-2-ylamino)cyclohex-2-en-1-one is O=C1C=C(Nc2ccc3ccccc3c2)CCC1.
What is the InChIKey of 3-(naphthalen-2-ylamino)cyclohex-2-en-1-one?
The InChIKey is ITZSIKSKBPIEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-16-7-3-6-14(11-16)17-15-9-8-12-4-1-2-5-13(12)10-15/h1-2,4-5,8-11,17H,3,6-7H2.
What are the key properties of 3-(naphthalen-2-ylamino)cyclohex-2-en-1-one?
3-(naphthalen-2-ylamino)cyclohex-2-en-1-one has a molecular weight of 237.30 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 823121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).