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

C16H19NO3 — CID 106671471

IUPAC1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESO=C(C1C2CCc3ccccc3C21)N1CC(O)C(O)C1
InChIInChI=1S/C16H19NO3/c18-12-7-17(8-13(12)19)16(20)15-11-6-5-9-3-1-2-4-10(9)14(11)15/h1-4,11-15,18-19H,5-8H2
InChIKeyJTXFTGNBZAABTC-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.53
Rot. Bonds1

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

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,4-dihydroxypyrrolidin-1-yl)methanone (PubChem CID 106671471) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,4-dihydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,4-dihydroxypyrrolidin-1-yl)methanone
PubChem CID106671471
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESO=C(C1C2CCc3ccccc3C21)N1CC(O)C(O)C1
InChIInChI=1S/C16H19NO3/c18-12-7-17(8-13(12)19)16(20)15-11-6-5-9-3-1-2-4-10(9)14(11)15/h1-4,11-15,18-19H,5-8H2
InChIKeyJTXFTGNBZAABTC-UHFFFAOYSA-N
XLogP0.53
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82745694
(2S,4R)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-triene-3-carboxylic acid
CID 21356022
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone
CID 114976389
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,5-dimethylphenyl)methanone
CID 114963038
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2,4-dimethylpentan-1-one
CID 114285008
5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carbonyl)furan-2-carboxylic acid
CID 106946876
N-(1-bromo-4-methylpentan-3-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 106355224
N-[(3-hydroxycyclopentyl)methyl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 106120154
N-(1-chloro-3-methylbutan-2-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 114305529
N-[(3R)-piperidin-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 104645593

Frequently Asked Questions

What is the IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,4-dihydroxypyrrolidin-1-yl)methanone (CID 106671471) is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,4-dihydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,4-dihydroxypyrrolidin-1-yl)methanone is O=C(C1C2CCc3ccccc3C21)N1CC(O)C(O)C1.
What is the InChIKey of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The InChIKey is JTXFTGNBZAABTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-12-7-17(8-13(12)19)16(20)15-11-6-5-9-3-1-2-4-10(9)14(11)15/h1-4,11-15,18-19H,5-8H2.
What are the key properties of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,4-dihydroxypyrrolidin-1-yl)methanone?
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,4-dihydroxypyrrolidin-1-yl)methanone has a molecular weight of 273.33 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 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-dihydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 106671471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).