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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Related Compounds

1'-methylspiro[3H-chromene-2,4'-piperidin-1-ium]-4-one
CID 7219629
6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663303
6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663844
spiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one
CID 16643166
2',2'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one
CID 114671404
spiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride
CID 12704137
spiro[3,4-dihydro-1,4-benzoxazepine-2,1'-cyclobutane]-5-one
CID 126827517
6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69076705
2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetic acid
CID 164694844
azane;6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 68979628
3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114671419
(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid
CID 68984003

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).