6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile

C15H17NO — CID 82081162

IUPAC6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile
SMILESCc1ccc2c(c1)C(C#N)CC1(CCCC1)O2
InChIInChI=1S/C15H17NO/c1-11-4-5-14-13(8-11)12(10-16)9-15(17-14)6-2-3-7-15/h4-5,8,12H,2-3,6-7,9H2,1H3
InChIKeySLFAVCBSNAAUGK-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.70
Rot. Bonds

About 6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile

6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile (PubChem CID 82081162) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile.

Molecular Properties

Compound Name6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile
PubChem CID82081162
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile
SMILESCc1ccc2c(c1)C(C#N)CC1(CCCC1)O2
InChIInChI=1S/C15H17NO/c1-11-4-5-14-13(8-11)12(10-16)9-15(17-14)6-2-3-7-15/h4-5,8,12H,2-3,6-7,9H2,1H3
InChIKeySLFAVCBSNAAUGK-UHFFFAOYSA-N
XLogP3.70
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile
CID 82084732
N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462871
2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetate
CID 4126484
N',N'-dimethyl-N-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine
CID 82462678
(4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine
CID 104946649
(4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950467
(4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
CID 104950482
1',6-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 72698320
1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709709
N,6-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114712492
(4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946535
(4R)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950407

Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile?
The IUPAC name of 6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile (CID 82081162) is 6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile.
What is the SMILES notation for 6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile?
The canonical SMILES for 6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile is Cc1ccc2c(c1)C(C#N)CC1(CCCC1)O2.
What is the InChIKey of 6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile?
The InChIKey is SLFAVCBSNAAUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-4-5-14-13(8-11)12(10-16)9-15(17-14)6-2-3-7-15/h4-5,8,12H,2-3,6-7,9H2,1H3.
What are the key properties of 6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile?
6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile has a molecular weight of 227.31 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile is sourced from PubChem (CID 82081162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).