(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene

C18H20 — CID 102007306

IUPAC(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene
SMILESC[C@@H]1c2ccccc2C[C@H]1C#CC1=CCCCC1
InChIInChI=1S/C18H20/c1-14-16(12-11-15-7-3-2-4-8-15)13-17-9-5-6-10-18(14)17/h5-7,9-10,14,16H,2-4,8,13H2,1H3/t14-,16+/m0/s1
InChIKeyVNXYPDJEJQDAKF-GOEBONIOSA-N
MW236.36 g/mol
LogP4.47
Rot. Bonds

About (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene

(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene (PubChem CID 102007306) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene
PubChem CID102007306
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene
SMILESC[C@@H]1c2ccccc2C[C@H]1C#CC1=CCCCC1
InChIInChI=1S/C18H20/c1-14-16(12-11-15-7-3-2-4-8-15)13-17-9-5-6-10-18(14)17/h5-7,9-10,14,16H,2-4,8,13H2,1H3/t14-,16+/m0/s1
InChIKeyVNXYPDJEJQDAKF-GOEBONIOSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1S,2R)-1-methyl-2-(2-phenylethynyl)-2,3-dihydro-1H-indene
CID 102007304
(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol
CID 101177740
[(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methylcyclopropyl]benzene
CID 166442212
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 66396114
(1S,2S)-1,2-dimethyl-2,3-dihydro-1H-indene;ethane;methane
CID 157409915
9-[2-(cyclohexen-1-yl)ethynyl]phenanthrene
CID 102411203
(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 122155821
(1S,2R)-1-methyl-2-[[4-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxymethyl]phenyl]methoxy]-2,3-dihydro-1H-indene
CID 155468560
1-[4-[2-[(1S,2S)-2-(cyclohexen-1-yl)-2,3-dihydro-1H-inden-1-yl]ethynyl]phenyl]butan-1-one
CID 143951001
(2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene
CID 163961847
(1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene
CID 155763743

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene?
The IUPAC name of (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene (CID 102007306) is (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene is C[C@@H]1c2ccccc2C[C@H]1C#CC1=CCCCC1.
What is the InChIKey of (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene?
The InChIKey is VNXYPDJEJQDAKF-GOEBONIOSA-N. The full InChI is InChI=1S/C18H20/c1-14-16(12-11-15-7-3-2-4-8-15)13-17-9-5-6-10-18(14)17/h5-7,9-10,14,16H,2-4,8,13H2,1H3/t14-,16+/m0/s1.
What are the key properties of (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene?
(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene has a molecular weight of 236.36 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 102007306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).