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

C16H19NO — CID 82084732

IUPAC6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile
SMILESCCc1ccc2c(c1)C(C#N)CC1(CCCC1)O2
InChIInChI=1S/C16H19NO/c1-2-12-5-6-15-14(9-12)13(11-17)10-16(18-15)7-3-4-8-16/h5-6,9,13H,2-4,7-8,10H2,1H3
InChIKeyVPUIKXNGJURHDM-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.95
Rot. Bonds1

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

6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile (PubChem CID 82084732) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile.

Molecular Properties

Compound Name6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile
PubChem CID82084732
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile
SMILESCCc1ccc2c(c1)C(C#N)CC1(CCCC1)O2
InChIInChI=1S/C16H19NO/c1-2-12-5-6-15-14(9-12)13(11-17)10-16(18-15)7-3-4-8-16/h5-6,9,13H,2-4,7-8,10H2,1H3
InChIKeyVPUIKXNGJURHDM-UHFFFAOYSA-N
XLogP3.95
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile
CID 82081162
2-(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine
CID 82089985
N,N,6-triethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82046943
2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133224868
6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 91264802
(2R,3S)-3-amino-1-[(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)amino]-4-phenylbutan-2-ol
CID 59468644
(4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 42220642
6-ethyl-2,3-dihydro-1H-indene-1-carbonitrile
CID 82074815
N-[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]propanamide
CID 16747233
(4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130108
6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462803
5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine]
CID 170003759

Frequently Asked Questions

What is the IUPAC name of 6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile?
The IUPAC name of 6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile (CID 82084732) is 6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile.
What is the SMILES notation for 6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile?
The canonical SMILES for 6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile is CCc1ccc2c(c1)C(C#N)CC1(CCCC1)O2.
What is the InChIKey of 6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile?
The InChIKey is VPUIKXNGJURHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-12-5-6-15-14(9-12)13(11-17)10-16(18-15)7-3-4-8-16/h5-6,9,13H,2-4,7-8,10H2,1H3.
What are the key properties of 6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile?
6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile has a molecular weight of 241.33 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile is sourced from PubChem (CID 82084732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).