(7E)-7-(bromomethylidene)-3,3a-dimethyl-4,5,6,7a-tetrahydro-1H-indene

C12H17Br — CID 143477699

IUPAC(7E)-7-(bromomethylidene)-3,3a-dimethyl-4,5,6,7a-tetrahydro-1H-indene
SMILESCC1=CCC2/C(=C/Br)CCCC12C
InChIInChI=1S/C12H17Br/c1-9-5-6-11-10(8-13)4-3-7-12(9,11)2/h5,8,11H,3-4,6-7H2,1-2H3/b10-8+
InChIKeyPLAXJDPCCYJEGB-CSKARUKUSA-N
MW241.17 g/mol
LogP4.42
Rot. Bonds

About (7E)-7-(bromomethylidene)-3,3a-dimethyl-4,5,6,7a-tetrahydro-1H-indene

(7E)-7-(bromomethylidene)-3,3a-dimethyl-4,5,6,7a-tetrahydro-1H-indene (PubChem CID 143477699) has the molecular formula C12H17Br and a molecular weight of 241.17 g/mol. Its IUPAC name is (7E)-7-(bromomethylidene)-3,3a-dimethyl-4,5,6,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name(7E)-7-(bromomethylidene)-3,3a-dimethyl-4,5,6,7a-tetrahydro-1H-indene
PubChem CID143477699
Molecular FormulaC12H17Br
Molecular Weight241.17 g/mol
Exact Mass240.05
IUPAC Name(7E)-7-(bromomethylidene)-3,3a-dimethyl-4,5,6,7a-tetrahydro-1H-indene
SMILESCC1=CCC2/C(=C/Br)CCCC12C
InChIInChI=1S/C12H17Br/c1-9-5-6-11-10(8-13)4-3-7-12(9,11)2/h5,8,11H,3-4,6-7H2,1-2H3/b10-8+
InChIKeyPLAXJDPCCYJEGB-CSKARUKUSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[(7aS)-4-(bromomethylidene)-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethanol
CID 91344064
(3E,3aS,7E,7aR)-7-(bromomethylidene)-3-ethylidene-3a-methyl-1,2,4,5,6,7a-hexahydroindene
CID 59456521
(3aS,7E)-3,3a-dimethyl-7-[(Z)-3-methylhept-2-enylidene]-4,5,6,7a-tetrahydro-1H-indene
CID 143086886
(3aS,6aS)-6,6a-dimethyl-2,3,3a,4-tetrahydro-1H-pentalene
CID 101365491
(1R,4E,7aS)-4-(bromomethylidene)-1-ethyl-7a-methyl-2,3,3a,5,6,7-hexahydroinden-1-ol
CID 143477680
1-[(1S,3aR,4E,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanone
CID 59456514
(3Z,7E)-7-(bromomethylidene)-3a-methyl-3-[(2-phenylethylamino)methylidene]-4,5,6,7a-tetrahydro-1H-inden-2-one
CID 143477707
1,7a-dimethyl-3,3a,4,5,6,7-hexahydroindene-5-carbaldehyde
CID 130035554
(1R,3aR,4Z,7aR)-4-(bromomethylidene)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 177463192
(4R)-4-[(1R,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]pentanal
CID 54226923
(7E)-3-(6,6-dimethylhept-4-yn-2-yl)-7-[(2Z)-2-(3,5-dimethyl-2-methylidenecyclohexylidene)ethylidene]-3a-methyl-4,5,6,7a-tetrahydro-1H-indene
CID 142099808
8a-methyl-2,2a,3,5,6,7,8,8b-octahydro-1H-cyclobuta[a]naphthalene
CID 143187513

Frequently Asked Questions

What is the IUPAC name of (7E)-7-(bromomethylidene)-3,3a-dimethyl-4,5,6,7a-tetrahydro-1H-indene?
The IUPAC name of (7E)-7-(bromomethylidene)-3,3a-dimethyl-4,5,6,7a-tetrahydro-1H-indene (CID 143477699) is (7E)-7-(bromomethylidene)-3,3a-dimethyl-4,5,6,7a-tetrahydro-1H-indene.
What is the SMILES notation for (7E)-7-(bromomethylidene)-3,3a-dimethyl-4,5,6,7a-tetrahydro-1H-indene?
The canonical SMILES for (7E)-7-(bromomethylidene)-3,3a-dimethyl-4,5,6,7a-tetrahydro-1H-indene is CC1=CCC2/C(=C/Br)CCCC12C.
What is the InChIKey of (7E)-7-(bromomethylidene)-3,3a-dimethyl-4,5,6,7a-tetrahydro-1H-indene?
The InChIKey is PLAXJDPCCYJEGB-CSKARUKUSA-N. The full InChI is InChI=1S/C12H17Br/c1-9-5-6-11-10(8-13)4-3-7-12(9,11)2/h5,8,11H,3-4,6-7H2,1-2H3/b10-8+.
What are the key properties of (7E)-7-(bromomethylidene)-3,3a-dimethyl-4,5,6,7a-tetrahydro-1H-indene?
(7E)-7-(bromomethylidene)-3,3a-dimethyl-4,5,6,7a-tetrahydro-1H-indene has a molecular weight of 241.17 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-(bromomethylidene)-3,3a-dimethyl-4,5,6,7a-tetrahydro-1H-indene is sourced from PubChem (CID 143477699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).