spiro[3H-chromene-2,4'-azepane]-4-one

C14H17NO2 — CID 59312111

IUPACspiro[3H-chromene-2,4'-azepane]-4-one
SMILESO=C1CC2(CCCNCC2)Oc2ccccc21
InChIInChI=1S/C14H17NO2/c16-12-10-14(6-3-8-15-9-7-14)17-13-5-2-1-4-11(12)13/h1-2,4-5,15H,3,6-10H2
InChIKeyFDPMEAVHGULMDJ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.16
Rot. Bonds

About spiro[3H-chromene-2,4'-azepane]-4-one

spiro[3H-chromene-2,4'-azepane]-4-one (PubChem CID 59312111) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is spiro[3H-chromene-2,4'-azepane]-4-one.

Molecular Properties

Compound Namespiro[3H-chromene-2,4'-azepane]-4-one
PubChem CID59312111
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Namespiro[3H-chromene-2,4'-azepane]-4-one
SMILESO=C1CC2(CCCNCC2)Oc2ccccc21
InChIInChI=1S/C14H17NO2/c16-12-10-14(6-3-8-15-9-7-14)17-13-5-2-1-4-11(12)13/h1-2,4-5,15H,3,6-10H2
InChIKeyFDPMEAVHGULMDJ-UHFFFAOYSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[3H-chromene-2,4'-azepane]-4-one?
The IUPAC name of spiro[3H-chromene-2,4'-azepane]-4-one (CID 59312111) is spiro[3H-chromene-2,4'-azepane]-4-one.
What is the SMILES notation for spiro[3H-chromene-2,4'-azepane]-4-one?
The canonical SMILES for spiro[3H-chromene-2,4'-azepane]-4-one is O=C1CC2(CCCNCC2)Oc2ccccc21.
What is the InChIKey of spiro[3H-chromene-2,4'-azepane]-4-one?
The InChIKey is FDPMEAVHGULMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-12-10-14(6-3-8-15-9-7-14)17-13-5-2-1-4-11(12)13/h1-2,4-5,15H,3,6-10H2.
What are the key properties of spiro[3H-chromene-2,4'-azepane]-4-one?
spiro[3H-chromene-2,4'-azepane]-4-one has a molecular weight of 231.29 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3H-chromene-2,4'-azepane]-4-one is sourced from PubChem (CID 59312111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).