2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile

C16H16N2 — CID 82450438

IUPAC2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile
SMILESCCc1ccc2nc3c(c(CC#N)c2c1)CCC3
InChIInChI=1S/C16H16N2/c1-2-11-6-7-16-14(10-11)12(8-9-17)13-4-3-5-15(13)18-16/h6-7,10H,2-5,8H2,1H3
InChIKeyYMOYKNQWRZFUNM-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.35
Rot. Bonds2

About 2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile

2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile (PubChem CID 82450438) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile
PubChem CID82450438
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile
SMILESCCc1ccc2nc3c(c(CC#N)c2c1)CCC3
InChIInChI=1S/C16H16N2/c1-2-11-6-7-16-14(10-11)12(8-9-17)13-4-3-5-15(13)18-16/h6-7,10H,2-5,8H2,1H3
InChIKeyYMOYKNQWRZFUNM-UHFFFAOYSA-N
XLogP3.35
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine
CID 82450473
(7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol
CID 82450476
N,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63480907
2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile
CID 82451782
(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methanamine
CID 82451478
2-(6-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile
CID 82451706
9-chloro-7-propyl-1,2,3,4-tetrahydroacridine
CID 55188071
1-(8-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
CID 82450491
9-benzyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 134913901
1-(2,8-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
CID 82450513
N-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine
CID 82450304
7-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82450301

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile?
The IUPAC name of 2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile (CID 82450438) is 2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile.
What is the SMILES notation for 2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile?
The canonical SMILES for 2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile is CCc1ccc2nc3c(c(CC#N)c2c1)CCC3.
What is the InChIKey of 2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile?
The InChIKey is YMOYKNQWRZFUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-2-11-6-7-16-14(10-11)12(8-9-17)13-4-3-5-15(13)18-16/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile?
2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile has a molecular weight of 236.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile is sourced from PubChem (CID 82450438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).