cyclopropyl cycloheptene-1-carboxylate

C11H16O2 — CID 130634533

IUPACcyclopropyl cycloheptene-1-carboxylate
SMILESO=C(OC1CC1)C1=CCCCCC1
InChIInChI=1S/C11H16O2/c12-11(13-10-7-8-10)9-5-3-1-2-4-6-9/h5,10H,1-4,6-8H2
InChIKeyZEZJNFVMXVMNNR-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.58
Rot. Bonds2

About cyclopropyl cycloheptene-1-carboxylate

cyclopropyl cycloheptene-1-carboxylate (PubChem CID 130634533) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is cyclopropyl cycloheptene-1-carboxylate.

Molecular Properties

Compound Namecyclopropyl cycloheptene-1-carboxylate
PubChem CID130634533
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namecyclopropyl cycloheptene-1-carboxylate
SMILESO=C(OC1CC1)C1=CCCCCC1
InChIInChI=1S/C11H16O2/c12-11(13-10-7-8-10)9-5-3-1-2-4-6-9/h5,10H,1-4,6-8H2
InChIKeyZEZJNFVMXVMNNR-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dioxaspiro[4.5]decan-8-yl cyclohexene-1-carboxylate
CID 75511359
ethyl cycloundecene-1-carboxylate
CID 154164177
methyl cyclododecene-1-carboxylate
CID 54564642
stibanyl cyclohexene-1-carboxylate
CID 174261272
hydroxymethyl cyclohexene-1-carboxylate
CID 91001163
ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate
CID 102299212
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] cyclohexene-1-carboxylate
CID 58743173
cycloheptene-1-carboxamide
CID 22261654
cyclopropyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate
CID 101030548
aluminum tris(cycloheptene-1-carboxylate)
CID 22604888
2,3-dihydroxypropyl cyclodecene-1-carboxylate
CID 175925690
1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769

Frequently Asked Questions

What is the IUPAC name of cyclopropyl cycloheptene-1-carboxylate?
The IUPAC name of cyclopropyl cycloheptene-1-carboxylate (CID 130634533) is cyclopropyl cycloheptene-1-carboxylate.
What is the SMILES notation for cyclopropyl cycloheptene-1-carboxylate?
The canonical SMILES for cyclopropyl cycloheptene-1-carboxylate is O=C(OC1CC1)C1=CCCCCC1.
What is the InChIKey of cyclopropyl cycloheptene-1-carboxylate?
The InChIKey is ZEZJNFVMXVMNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-11(13-10-7-8-10)9-5-3-1-2-4-6-9/h5,10H,1-4,6-8H2.
What are the key properties of cyclopropyl cycloheptene-1-carboxylate?
cyclopropyl cycloheptene-1-carboxylate has a molecular weight of 180.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl cycloheptene-1-carboxylate is sourced from PubChem (CID 130634533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).