2-[(3-chloro-2-methylcyclopentyl)methyl]bicyclo[2.2.1]heptane

C14H23Cl — CID 79550624

IUPAC2-[(3-chloro-2-methylcyclopentyl)methyl]bicyclo[2.2.1]heptane
SMILESCC1C(Cl)CCC1CC1CC2CCC1C2
InChIInChI=1S/C14H23Cl/c1-9-11(4-5-14(9)15)8-13-7-10-2-3-12(13)6-10/h9-14H,2-8H2,1H3
InChIKeyHHRJOPOJSAURJP-UHFFFAOYSA-N
MW226.79 g/mol
LogP4.47
Rot. Bonds2

About 2-[(3-chloro-2-methylcyclopentyl)methyl]bicyclo[2.2.1]heptane

2-[(3-chloro-2-methylcyclopentyl)methyl]bicyclo[2.2.1]heptane (PubChem CID 79550624) has the molecular formula C14H23Cl and a molecular weight of 226.79 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylcyclopentyl)methyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[(3-chloro-2-methylcyclopentyl)methyl]bicyclo[2.2.1]heptane
PubChem CID79550624
Molecular FormulaC14H23Cl
Molecular Weight226.79 g/mol
Exact Mass226.15
IUPAC Name2-[(3-chloro-2-methylcyclopentyl)methyl]bicyclo[2.2.1]heptane
SMILESCC1C(Cl)CCC1CC1CC2CCC1C2
InChIInChI=1S/C14H23Cl/c1-9-11(4-5-14(9)15)8-13-7-10-2-3-12(13)6-10/h9-14H,2-8H2,1H3
InChIKeyHHRJOPOJSAURJP-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.79
LogP ≤ 54.47
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

2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]bicyclo[2.2.1]heptane
CID 79561514
1-[2-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutyl]-N-methylmethanamine
CID 81017377
2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 19102351
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
CID 55301828
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
2-(2-bicyclo[2.2.1]heptanylmethyl)-4-tert-butylcyclohexane-1-carboxylic acid
CID 81013755
4-(2-bicyclo[2.2.1]heptanylmethyl)thiolan-3-ol
CID 83189949
(1S,2S,4S)-2-(bromomethyl)bicyclo[2.2.1]heptane
CID 12625652

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylcyclopentyl)methyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2-[(3-chloro-2-methylcyclopentyl)methyl]bicyclo[2.2.1]heptane (CID 79550624) is 2-[(3-chloro-2-methylcyclopentyl)methyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[(3-chloro-2-methylcyclopentyl)methyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-[(3-chloro-2-methylcyclopentyl)methyl]bicyclo[2.2.1]heptane is CC1C(Cl)CCC1CC1CC2CCC1C2.
What is the InChIKey of 2-[(3-chloro-2-methylcyclopentyl)methyl]bicyclo[2.2.1]heptane?
The InChIKey is HHRJOPOJSAURJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Cl/c1-9-11(4-5-14(9)15)8-13-7-10-2-3-12(13)6-10/h9-14H,2-8H2,1H3.
What are the key properties of 2-[(3-chloro-2-methylcyclopentyl)methyl]bicyclo[2.2.1]heptane?
2-[(3-chloro-2-methylcyclopentyl)methyl]bicyclo[2.2.1]heptane has a molecular weight of 226.79 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylcyclopentyl)methyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 79550624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).