1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone

C17H18O2 — CID 102648557

IUPAC1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)C1C2CCc3ccccc3C21
InChIInChI=1S/C17H18O2/c18-17(14-7-3-4-10-19-14)16-13-9-8-11-5-1-2-6-12(11)15(13)16/h1-2,5-7,13,15-16H,3-4,8-10H2
InChIKeyNIQNHPILPSKVTF-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.23
Rot. Bonds2

About 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102648557) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102648557
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)C1C2CCc3ccccc3C21
InChIInChI=1S/C17H18O2/c18-17(14-7-3-4-10-19-14)16-13-9-8-11-5-1-2-6-12(11)15(13)16/h1-2,5-7,13,15-16H,3-4,8-10H2
InChIKeyNIQNHPILPSKVTF-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,5-dimethylphenyl)methanone
CID 114963038
5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carbonyl)furan-2-carboxylic acid
CID 106946876
3,4-dihydro-2H-pyran-6-yl-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 86798429
(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
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)butan-1-one
CID 114962262
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671471
N-[(2S)-1-hydroxybutan-2-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 104981049
1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057978
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone
CID 114976389
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2,4-dimethylpentan-1-one
CID 114285008
N-(1-hydroxy-3-methoxypropan-2-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 106183853

Frequently Asked Questions

What is the IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102648557) is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone is O=C(C1=CCCCO1)C1C2CCc3ccccc3C21.
What is the InChIKey of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is NIQNHPILPSKVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c18-17(14-7-3-4-10-19-14)16-13-9-8-11-5-1-2-6-12(11)15(13)16/h1-2,5-7,13,15-16H,3-4,8-10H2.
What are the key properties of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 254.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102648557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).