(1R)-6-aminooxy-1-methyl-7-propan-2-yl-2,3,4,4a-tetrahydro-1H-phenanthren-9-one

C18H23NO2 — CID 145196011

IUPAC(1R)-6-aminooxy-1-methyl-7-propan-2-yl-2,3,4,4a-tetrahydro-1H-phenanthren-9-one
SMILESCC(C)c1cc2c(cc1ON)C1CCC[C@@H](C)C1=CC2=O
InChIInChI=1S/C18H23NO2/c1-10(2)13-7-16-15(9-18(13)21-19)12-6-4-5-11(3)14(12)8-17(16)20/h7-12H,4-6,19H2,1-3H3/t11-,12?/m1/s1
InChIKeyIBXRTXNFVPELHX-JHJMLUEUSA-N
MW285.39 g/mol
LogP4.09
Rot. Bonds2

About (1R)-6-aminooxy-1-methyl-7-propan-2-yl-2,3,4,4a-tetrahydro-1H-phenanthren-9-one

(1R)-6-aminooxy-1-methyl-7-propan-2-yl-2,3,4,4a-tetrahydro-1H-phenanthren-9-one (PubChem CID 145196011) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (1R)-6-aminooxy-1-methyl-7-propan-2-yl-2,3,4,4a-tetrahydro-1H-phenanthren-9-one.

Molecular Properties

Compound Name(1R)-6-aminooxy-1-methyl-7-propan-2-yl-2,3,4,4a-tetrahydro-1H-phenanthren-9-one
PubChem CID145196011
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(1R)-6-aminooxy-1-methyl-7-propan-2-yl-2,3,4,4a-tetrahydro-1H-phenanthren-9-one
SMILESCC(C)c1cc2c(cc1ON)C1CCC[C@@H](C)C1=CC2=O
InChIInChI=1S/C18H23NO2/c1-10(2)13-7-16-15(9-18(13)21-19)12-6-4-5-11(3)14(12)8-17(16)20/h7-12H,4-6,19H2,1-3H3/t11-,12?/m1/s1
InChIKeyIBXRTXNFVPELHX-JHJMLUEUSA-N
XLogP4.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 83973503
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CID 117472178
2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine
CID 83973829
2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine
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3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (1R)-6-aminooxy-1-methyl-7-propan-2-yl-2,3,4,4a-tetrahydro-1H-phenanthren-9-one?
The IUPAC name of (1R)-6-aminooxy-1-methyl-7-propan-2-yl-2,3,4,4a-tetrahydro-1H-phenanthren-9-one (CID 145196011) is (1R)-6-aminooxy-1-methyl-7-propan-2-yl-2,3,4,4a-tetrahydro-1H-phenanthren-9-one.
What is the SMILES notation for (1R)-6-aminooxy-1-methyl-7-propan-2-yl-2,3,4,4a-tetrahydro-1H-phenanthren-9-one?
The canonical SMILES for (1R)-6-aminooxy-1-methyl-7-propan-2-yl-2,3,4,4a-tetrahydro-1H-phenanthren-9-one is CC(C)c1cc2c(cc1ON)C1CCC[C@@H](C)C1=CC2=O.
What is the InChIKey of (1R)-6-aminooxy-1-methyl-7-propan-2-yl-2,3,4,4a-tetrahydro-1H-phenanthren-9-one?
The InChIKey is IBXRTXNFVPELHX-JHJMLUEUSA-N. The full InChI is InChI=1S/C18H23NO2/c1-10(2)13-7-16-15(9-18(13)21-19)12-6-4-5-11(3)14(12)8-17(16)20/h7-12H,4-6,19H2,1-3H3/t11-,12?/m1/s1.
What are the key properties of (1R)-6-aminooxy-1-methyl-7-propan-2-yl-2,3,4,4a-tetrahydro-1H-phenanthren-9-one?
(1R)-6-aminooxy-1-methyl-7-propan-2-yl-2,3,4,4a-tetrahydro-1H-phenanthren-9-one has a molecular weight of 285.39 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-aminooxy-1-methyl-7-propan-2-yl-2,3,4,4a-tetrahydro-1H-phenanthren-9-one is sourced from PubChem (CID 145196011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).