propylcyclopropane

C6H12 — CID 17014

IUPACpropylcyclopropane
SMILESCCCC1CC1
InChIInChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3
InChIKeyMWVPQZRIWVPJCA-UHFFFAOYSA-N
MW84.16 g/mol
LogP2.20
Rot. Bonds2

About propylcyclopropane

propylcyclopropane (PubChem CID 17014) has the molecular formula C6H12 and a molecular weight of 84.16 g/mol. Its IUPAC name is propylcyclopropane.

Molecular Properties

Compound Namepropylcyclopropane
PubChem CID17014
Molecular FormulaC6H12
Molecular Weight84.16 g/mol
Exact Mass84.09
IUPAC Namepropylcyclopropane
SMILESCCCC1CC1
InChIInChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3
InChIKeyMWVPQZRIWVPJCA-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.16
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Ethylcyclopropane
CID 70933
Butylcyclopropane
CID 70257
Cyclopropane, (1-methylethyl)-
CID 137995
Cis-1,2-dimethylcyclopropane
CID 252321
1,2-Dimethylcyclopropane, trans-
CID 6427079
1,2-Dimethylcyclopropane
CID 102832
1-Ethyl-2-methylcyclopropane
CID 140607
trans-(1R,2S)-1-ethyl-2-methylcyclopropane
CID 21572745
Butane, 2-cyclopropyl-
CID 138579
cis-1-Ethyl-2-methylcyclopropane
CID 640655
1,2-Diethylcyclopropane
CID 144456
cis-(1R,2R)-1-ethyl-2-methylcyclopropane
CID 59954461

Frequently Asked Questions

What is the IUPAC name of propylcyclopropane?
The IUPAC name of propylcyclopropane (CID 17014) is propylcyclopropane.
What is the SMILES notation for propylcyclopropane?
The canonical SMILES for propylcyclopropane is CCCC1CC1.
What is the InChIKey of propylcyclopropane?
The InChIKey is MWVPQZRIWVPJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3.
What are the key properties of propylcyclopropane?
propylcyclopropane has a molecular weight of 84.16 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propylcyclopropane is sourced from PubChem (CID 17014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).