6-ethyl-2,3-dihydro-1H-indene-1-carbonitrile

C12H13N — CID 82074815

IUPAC6-ethyl-2,3-dihydro-1H-indene-1-carbonitrile
SMILESCCc1ccc2c(c1)C(C#N)CC2
InChIInChI=1S/C12H13N/c1-2-9-3-4-10-5-6-11(8-13)12(10)7-9/h3-4,7,11H,2,5-6H2,1H3
InChIKeyVGWZREOUIHKTCI-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.80
Rot. Bonds1

About 6-ethyl-2,3-dihydro-1H-indene-1-carbonitrile

6-ethyl-2,3-dihydro-1H-indene-1-carbonitrile (PubChem CID 82074815) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 6-ethyl-2,3-dihydro-1H-indene-1-carbonitrile.

Molecular Properties

Compound Name6-ethyl-2,3-dihydro-1H-indene-1-carbonitrile
PubChem CID82074815
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name6-ethyl-2,3-dihydro-1H-indene-1-carbonitrile
SMILESCCc1ccc2c(c1)C(C#N)CC2
InChIInChI=1S/C12H13N/c1-2-9-3-4-10-5-6-11(8-13)12(10)7-9/h3-4,7,11H,2,5-6H2,1H3
InChIKeyVGWZREOUIHKTCI-UHFFFAOYSA-N
XLogP2.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-tert-butyl-2,3-dihydro-1H-indene-1-carbonitrile
CID 55264301
(1R)-6-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 131884185
(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 21104537
1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene
CID 63514071
5-bromo-3-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63514254
2,3-dihydro-1H-cyclopenta[b]naphthalene-3-carbonitrile
CID 55264302
2-[(1R)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine
CID 67627169
2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 15816636
(1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile
CID 86319053
3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63512839
(2R)-7-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130940477
6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile
CID 82084732

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,3-dihydro-1H-indene-1-carbonitrile?
The IUPAC name of 6-ethyl-2,3-dihydro-1H-indene-1-carbonitrile (CID 82074815) is 6-ethyl-2,3-dihydro-1H-indene-1-carbonitrile.
What is the SMILES notation for 6-ethyl-2,3-dihydro-1H-indene-1-carbonitrile?
The canonical SMILES for 6-ethyl-2,3-dihydro-1H-indene-1-carbonitrile is CCc1ccc2c(c1)C(C#N)CC2.
What is the InChIKey of 6-ethyl-2,3-dihydro-1H-indene-1-carbonitrile?
The InChIKey is VGWZREOUIHKTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-2-9-3-4-10-5-6-11(8-13)12(10)7-9/h3-4,7,11H,2,5-6H2,1H3.
What are the key properties of 6-ethyl-2,3-dihydro-1H-indene-1-carbonitrile?
6-ethyl-2,3-dihydro-1H-indene-1-carbonitrile has a molecular weight of 171.24 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3-dihydro-1H-indene-1-carbonitrile is sourced from PubChem (CID 82074815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).