N-[(2R)-6-methoxy-2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]hydroxylamine

C17H17NO2 — CID 125494447

IUPACN-[(2R)-6-methoxy-2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]hydroxylamine
SMILESCOc1ccc2c(c1)C=Cc1ccccc1[C@@]2(C)NO
InChIInChI=1S/C17H17NO2/c1-17(18-19)15-6-4-3-5-12(15)7-8-13-11-14(20-2)9-10-16(13)17/h3-11,18-19H,1-2H3/t17-/m1/s1
InChIKeyQNIYLMVQAQLWLM-QGZVFWFLSA-N
MW267.33 g/mol
LogP3.42
Rot. Bonds2

About N-[(2R)-6-methoxy-2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]hydroxylamine

N-[(2R)-6-methoxy-2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]hydroxylamine (PubChem CID 125494447) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(2R)-6-methoxy-2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2R)-6-methoxy-2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]hydroxylamine
PubChem CID125494447
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-[(2R)-6-methoxy-2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]hydroxylamine
SMILESCOc1ccc2c(c1)C=Cc1ccccc1[C@@]2(C)NO
InChIInChI=1S/C17H17NO2/c1-17(18-19)15-6-4-3-5-12(15)7-8-13-11-14(20-2)9-10-16(13)17/h3-11,18-19H,1-2H3/t17-/m1/s1
InChIKeyQNIYLMVQAQLWLM-QGZVFWFLSA-N
XLogP3.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2R)-6-methoxy-2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]hydroxylamine with MolForge

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Related Compounds

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CID 154303446
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CID 21415455
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-methoxy-2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]hydroxylamine?
The IUPAC name of N-[(2R)-6-methoxy-2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]hydroxylamine (CID 125494447) is N-[(2R)-6-methoxy-2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]hydroxylamine.
What is the SMILES notation for N-[(2R)-6-methoxy-2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]hydroxylamine?
The canonical SMILES for N-[(2R)-6-methoxy-2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]hydroxylamine is COc1ccc2c(c1)C=Cc1ccccc1[C@@]2(C)NO.
What is the InChIKey of N-[(2R)-6-methoxy-2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]hydroxylamine?
The InChIKey is QNIYLMVQAQLWLM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17NO2/c1-17(18-19)15-6-4-3-5-12(15)7-8-13-11-14(20-2)9-10-16(13)17/h3-11,18-19H,1-2H3/t17-/m1/s1.
What are the key properties of N-[(2R)-6-methoxy-2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]hydroxylamine?
N-[(2R)-6-methoxy-2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]hydroxylamine has a molecular weight of 267.33 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-methoxy-2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]hydroxylamine is sourced from PubChem (CID 125494447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).