ethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate

C14H16O2 — CID 10488912

IUPACethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate
SMILESCCOC(=O)C1[C@H]2Cc3ccccc3C[C@@H]12
InChIInChI=1S/C14H16O2/c1-2-16-14(15)13-11-7-9-5-3-4-6-10(9)8-12(11)13/h3-6,11-13H,2,7-8H2,1H3/t11-,12+,13?
InChIKeyLCQQWAGZZKIFIY-FUNVUKJBSA-N
MW216.28 g/mol
LogP2.21
Rot. Bonds2

About ethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate

ethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate (PubChem CID 10488912) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate
PubChem CID10488912
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Nameethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate
SMILESCCOC(=O)C1[C@H]2Cc3ccccc3C[C@@H]12
InChIInChI=1S/C14H16O2/c1-2-16-14(15)13-11-7-9-5-3-4-6-10(9)8-12(11)13/h3-6,11-13H,2,7-8H2,1H3/t11-,12+,13?
InChIKeyLCQQWAGZZKIFIY-FUNVUKJBSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 123823928
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ethyl (1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxylate
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ethyl (1S,3S,4R,6S)-3,4-dihydroxybicyclo[4.1.0]heptane-7-carboxylate
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ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
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ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate
CID 13065907
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
CID 102322788
ethyl 2-oxo-4,5-dihydro-3H-1-benzoxepine-4-carboxylate
CID 69129023
ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride
CID 131852452
CID 159251036
CID 159251036
ethyl (1aR,6aS)-4-[tert-butyl(diphenyl)silyl]oxy-1,1a,2,3,4,5,6,6a-octahydrocyclopropa[f]indene-1-carboxylate
CID 11590724

Frequently Asked Questions

What is the IUPAC name of ethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate?
The IUPAC name of ethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate (CID 10488912) is ethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate.
What is the SMILES notation for ethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate?
The canonical SMILES for ethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate is CCOC(=O)C1[C@H]2Cc3ccccc3C[C@@H]12.
What is the InChIKey of ethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate?
The InChIKey is LCQQWAGZZKIFIY-FUNVUKJBSA-N. The full InChI is InChI=1S/C14H16O2/c1-2-16-14(15)13-11-7-9-5-3-4-6-10(9)8-12(11)13/h3-6,11-13H,2,7-8H2,1H3/t11-,12+,13?.
What are the key properties of ethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate?
ethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate is sourced from PubChem (CID 10488912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).