6-methoxy-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile

C12H13NO — CID 82075312

IUPAC6-methoxy-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
SMILESCOc1ccc2c(c1)C(C#N)CC2C
InChIInChI=1S/C12H13NO/c1-8-5-9(7-13)12-6-10(14-2)3-4-11(8)12/h3-4,6,8-9H,5H2,1-2H3
InChIKeyZRMJEGRWYSGHGL-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.81
Rot. Bonds1

About 6-methoxy-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile

6-methoxy-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile (PubChem CID 82075312) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 6-methoxy-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile.

Molecular Properties

Compound Name6-methoxy-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
PubChem CID82075312
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name6-methoxy-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
SMILESCOc1ccc2c(c1)C(C#N)CC2C
InChIInChI=1S/C12H13NO/c1-8-5-9(7-13)12-6-10(14-2)3-4-11(8)12/h3-4,6,8-9H,5H2,1-2H3
InChIKeyZRMJEGRWYSGHGL-UHFFFAOYSA-N
XLogP2.81
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile
CID 86319053
3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
CID 21040228
(6-methoxy-3-methyl-2,3-dihydro-1H-inden-1-yl)methanol
CID 14967720
6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
CID 102340504
1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 64689174
(1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837765
2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile
CID 18513224
cis-(1R,2R)-2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile
CID 70029140
5-methoxy-3-methyl-2,3-dihydro-1-benzofuran
CID 102492939
1-ethyl-3-[2-(6-methoxy-3-methyl-2,3-dihydro-1H-inden-1-yl)ethyl]urea
CID 25270823
6-methoxy-N,2,3-trimethyl-2,3-dihydro-1H-inden-1-amine
CID 79726730
6-methoxy-2,4-dimethyl-3,4-dihydroisoquinolin-2-ium
CID 166464665

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile?
The IUPAC name of 6-methoxy-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile (CID 82075312) is 6-methoxy-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile.
What is the SMILES notation for 6-methoxy-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile?
The canonical SMILES for 6-methoxy-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile is COc1ccc2c(c1)C(C#N)CC2C.
What is the InChIKey of 6-methoxy-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile?
The InChIKey is ZRMJEGRWYSGHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-5-9(7-13)12-6-10(14-2)3-4-11(8)12/h3-4,6,8-9H,5H2,1-2H3.
What are the key properties of 6-methoxy-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile?
6-methoxy-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile has a molecular weight of 187.24 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile is sourced from PubChem (CID 82075312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).