6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one

C14H17NO2 — CID 82045683

IUPAC6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCc1cc2c(cc1C)C(=O)CC1(CCNC1)O2
InChIInChI=1S/C14H17NO2/c1-9-5-11-12(16)7-14(3-4-15-8-14)17-13(11)6-10(9)2/h5-6,15H,3-4,7-8H2,1-2H3
InChIKeySFWIEBIRCCDCPZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.00
Rot. Bonds

About 6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one

6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 82045683) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID82045683
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCc1cc2c(cc1C)C(=O)CC1(CCNC1)O2
InChIInChI=1S/C14H17NO2/c1-9-5-11-12(16)7-14(3-4-15-8-14)17-13(11)6-10(9)2/h5-6,15H,3-4,7-8H2,1-2H3
InChIKeySFWIEBIRCCDCPZ-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azane;6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 68979628
6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 66524938
6-phenylmethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 82045706
6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663844
6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 16643155
6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663303
1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 44769674
(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid
CID 68984003
6-(1,1-dioxo-1,3-thiazolidin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 143724659
1'-[3,5-bis(trifluoromethyl)benzoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758276
2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide
CID 87056586
5-ethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 82045708

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 82045683) is 6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one is Cc1cc2c(cc1C)C(=O)CC1(CCNC1)O2.
What is the InChIKey of 6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is SFWIEBIRCCDCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-5-11-12(16)7-14(3-4-15-8-14)17-13(11)6-10(9)2/h5-6,15H,3-4,7-8H2,1-2H3.
What are the key properties of 6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 231.29 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 82045683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).