5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carbonyl)furan-2-carboxylic acid

C17H14O4 — CID 106946876

IUPAC5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carbonyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)C2C3CCc4ccccc4C32)o1
InChIInChI=1S/C17H14O4/c18-16(12-7-8-13(21-12)17(19)20)15-11-6-5-9-3-1-2-4-10(9)14(11)15/h1-4,7-8,11,14-15H,5-6H2,(H,19,20)
InChIKeyFZBPTIABLLDBIE-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.14
Rot. Bonds3

About 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carbonyl)furan-2-carboxylic acid

5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carbonyl)furan-2-carboxylic acid (PubChem CID 106946876) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carbonyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carbonyl)furan-2-carboxylic acid
PubChem CID106946876
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carbonyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)C2C3CCc4ccccc4C32)o1
InChIInChI=1S/C17H14O4/c18-16(12-7-8-13(21-12)17(19)20)15-11-6-5-9-3-1-2-4-10(9)14(11)15/h1-4,7-8,11,14-15H,5-6H2,(H,19,20)
InChIKeyFZBPTIABLLDBIE-UHFFFAOYSA-N
XLogP3.14
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,5-dimethylphenyl)methanone
CID 114963038
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648557
N-[(2S)-1-hydroxybutan-2-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 104981049
(2S,4R)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-triene-3-carboxylic acid
CID 21356022
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-methylprop-2-en-1-one
CID 115781050
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671471
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)butan-1-one
CID 114962262
N-(1-hydroxy-3-methoxypropan-2-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 106183853
N-[(3-hydroxycyclopentyl)methyl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 106120154
N-[(3-bromocyclopentyl)methyl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 106128697
N-(1-chloro-3-methylbutan-2-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 114305529
N-(5-bromopentan-2-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 114316551

Frequently Asked Questions

What is the IUPAC name of 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carbonyl)furan-2-carboxylic acid?
The IUPAC name of 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carbonyl)furan-2-carboxylic acid (CID 106946876) is 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carbonyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carbonyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carbonyl)furan-2-carboxylic acid is O=C(O)c1ccc(C(=O)C2C3CCc4ccccc4C32)o1.
What is the InChIKey of 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carbonyl)furan-2-carboxylic acid?
The InChIKey is FZBPTIABLLDBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-16(12-7-8-13(21-12)17(19)20)15-11-6-5-9-3-1-2-4-10(9)14(11)15/h1-4,7-8,11,14-15H,5-6H2,(H,19,20).
What are the key properties of 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carbonyl)furan-2-carboxylic acid?
5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carbonyl)furan-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carbonyl)furan-2-carboxylic acid is sourced from PubChem (CID 106946876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).