cis-(1R,3R)-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride

C12H17ClO — CID 12952597

IUPACcis-(1R,3R)-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
SMILESCC1(C)[C@H](C=C2CCCC2)[C@H]1C(=O)Cl
InChIInChI=1S/C12H17ClO/c1-12(2)9(10(12)11(13)14)7-8-5-3-4-6-8/h7,9-10H,3-6H2,1-2H3/t9-,10+/m1/s1
InChIKeyMQAGSSWNUYYWCU-ZJUUUORDSA-N
MW212.72 g/mol
LogP3.52
Rot. Bonds2

About cis-(1R,3R)-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride

cis-(1R,3R)-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride (PubChem CID 12952597) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is cis-(1R,3R)-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Namecis-(1R,3R)-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
PubChem CID12952597
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Namecis-(1R,3R)-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
SMILESCC1(C)[C@H](C=C2CCCC2)[C@H]1C(=O)Cl
InChIInChI=1S/C12H17ClO/c1-12(2)9(10(12)11(13)14)7-8-5-3-4-6-8/h7,9-10H,3-6H2,1-2H3/t9-,10+/m1/s1
InChIKeyMQAGSSWNUYYWCU-ZJUUUORDSA-N
XLogP3.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,3S)-3-(cyclobutylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 45081793
3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 21241970
trans-(1S,3R)-3-(cyclobutylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 70523544
(2,3,4,5,6-pentafluorophenyl)methyl 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88741315
[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl] 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 70569331
2,2-dimethyl-3-[(E)-3-oxobut-1-enyl]cyclopropane-1-carbonyl chloride
CID 88716019
trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carbonyl chloride;yttrium
CID 59107380
trans-(1R,3R)-1-chloro-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 70504052
trans-(1R,3S)-3-(2-cyanoethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 159613129
methyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate
CID 12807756
3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 11983901
cis-(1S,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 86736786

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride?
The IUPAC name of cis-(1R,3R)-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride (CID 12952597) is cis-(1R,3R)-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride.
What is the SMILES notation for cis-(1R,3R)-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride?
The canonical SMILES for cis-(1R,3R)-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride is CC1(C)[C@H](C=C2CCCC2)[C@H]1C(=O)Cl.
What is the InChIKey of cis-(1R,3R)-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride?
The InChIKey is MQAGSSWNUYYWCU-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H17ClO/c1-12(2)9(10(12)11(13)14)7-8-5-3-4-6-8/h7,9-10H,3-6H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3R)-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride?
cis-(1R,3R)-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride has a molecular weight of 212.72 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride is sourced from PubChem (CID 12952597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).