1-chloropropylcyclopropane;methane

C7H15Cl — CID 174336736

IUPAC1-chloropropylcyclopropane;methane
SMILESC.CCC(Cl)C1CC1
InChIInChI=1S/C6H11Cl.CH4/c1-2-6(7)5-3-4-5;/h5-6H,2-4H2,1H3;1H4
InChIKeyFXICCJWTLDYDNJ-UHFFFAOYSA-N
MW134.65 g/mol
LogP3.05
Rot. Bonds2

About 1-chloropropylcyclopropane;methane

1-chloropropylcyclopropane;methane (PubChem CID 174336736) has the molecular formula C7H15Cl and a molecular weight of 134.65 g/mol. Its IUPAC name is 1-chloropropylcyclopropane;methane.

Molecular Properties

Compound Name1-chloropropylcyclopropane;methane
PubChem CID174336736
Molecular FormulaC7H15Cl
Molecular Weight134.65 g/mol
Exact Mass134.09
IUPAC Name1-chloropropylcyclopropane;methane
SMILESC.CCC(Cl)C1CC1
InChIInChI=1S/C6H11Cl.CH4/c1-2-6(7)5-3-4-5;/h5-6H,2-4H2,1H3;1H4
InChIKeyFXICCJWTLDYDNJ-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.65
LogP ≤ 53.05
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

4-(1-chloropropyl)-1,2-dimethylcyclohexane
CID 79307796
pentan-3-ylcyclopropane
CID 19042038
3-(1-chloropropyl)-1,1-dimethylcyclohexane
CID 79307494
4-(1-chloropropyl)-2-methyloxane
CID 79308102
1-(1-chloropropyl)-2,3-dimethylcyclohexane
CID 79307395
[(1S)-1-fluoropropyl]cyclopropane
CID 158184537
(2-chloro-3-methylpentyl)cyclopropane
CID 130480709
(8-chloro-9-methyldecan-3-yl)cyclopropane
CID 139442668
1-cyclopropyl-N-methylpropan-1-amine
CID 20693438
1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane
CID 142348869
[1-chloro-4-(3-methylbutoxy)butyl]cyclopropane
CID 63358311
(1-chloro-5-methylsulfonylpentyl)cyclopropane
CID 63357814

Frequently Asked Questions

What is the IUPAC name of 1-chloropropylcyclopropane;methane?
The IUPAC name of 1-chloropropylcyclopropane;methane (CID 174336736) is 1-chloropropylcyclopropane;methane.
What is the SMILES notation for 1-chloropropylcyclopropane;methane?
The canonical SMILES for 1-chloropropylcyclopropane;methane is C.CCC(Cl)C1CC1.
What is the InChIKey of 1-chloropropylcyclopropane;methane?
The InChIKey is FXICCJWTLDYDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl.CH4/c1-2-6(7)5-3-4-5;/h5-6H,2-4H2,1H3;1H4.
What are the key properties of 1-chloropropylcyclopropane;methane?
1-chloropropylcyclopropane;methane has a molecular weight of 134.65 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropylcyclopropane;methane is sourced from PubChem (CID 174336736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).