5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene

C20H21Cl — CID 114939601

IUPAC5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene
SMILESClC(c1ccc2c3c(cccc13)CC2)C1C2CCCCC21
InChIInChI=1S/C20H21Cl/c21-20(19-14-5-1-2-6-15(14)19)17-11-10-13-9-8-12-4-3-7-16(17)18(12)13/h3-4,7,10-11,14-15,19-20H,1-2,5-6,8-9H2
InChIKeyWLLBIKKSLRWNDF-UHFFFAOYSA-N
MW296.84 g/mol
LogP5.65
Rot. Bonds2

About 5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene

5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene (PubChem CID 114939601) has the molecular formula C20H21Cl and a molecular weight of 296.84 g/mol. Its IUPAC name is 5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene.

Molecular Properties

Compound Name5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene
PubChem CID114939601
Molecular FormulaC20H21Cl
Molecular Weight296.84 g/mol
Exact Mass296.13
IUPAC Name5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene
SMILESClC(c1ccc2c3c(cccc13)CC2)C1C2CCCCC21
InChIInChI=1S/C20H21Cl/c21-20(19-14-5-1-2-6-15(14)19)17-11-10-13-9-8-12-4-3-7-16(17)18(12)13/h3-4,7,10-11,14-15,19-20H,1-2,5-6,8-9H2
InChIKeyWLLBIKKSLRWNDF-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.84
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-[6-bicyclo[3.1.0]hexanyl(chloro)methyl]-1,2-dihydroacenaphthylene
CID 114939681
5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene
CID 114939639
2-cyclohexyl-1-(1,2-dihydroacenaphthylen-5-yl)ethanol
CID 114939571
5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
CID 114939619
2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine
CID 114939304
5-(1-chloro-3,3,3-trifluoropropyl)-1,2-dihydroacenaphthylene
CID 114939684
1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 114939286
3-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]furan
CID 114939633
5-[chloro-(3-iodophenyl)methyl]-1,2-dihydroacenaphthylene
CID 114939607
1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol
CID 114939514
(R)-(2-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 99707210
(1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine
CID 66510294

Frequently Asked Questions

What is the IUPAC name of 5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene?
The IUPAC name of 5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene (CID 114939601) is 5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene.
What is the SMILES notation for 5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene?
The canonical SMILES for 5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene is ClC(c1ccc2c3c(cccc13)CC2)C1C2CCCCC21.
What is the InChIKey of 5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene?
The InChIKey is WLLBIKKSLRWNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl/c21-20(19-14-5-1-2-6-15(14)19)17-11-10-13-9-8-12-4-3-7-16(17)18(12)13/h3-4,7,10-11,14-15,19-20H,1-2,5-6,8-9H2.
What are the key properties of 5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene?
5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene has a molecular weight of 296.84 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene is sourced from PubChem (CID 114939601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).