Narwedine

C17H19NO3 — CID 10356588

IUPAC(1S,12S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-one
SMILESCN1CC[C@@]23C=CC(=O)C[C@@H]2OC4=C(C=CC(=C34)C1)OC
InChIInChI=1S/C17H19NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,14H,7-10H2,1-2H3/t14-,17-/m0/s1
InChIKeyQENVUHCAYXAROT-YOEHRIQHSA-N
MW285.34 g/mol
LogP1.70
Rot. Bonds1

About Narwedine

Narwedine (PubChem CID 10356588) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (1S,12S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-one.

Molecular Properties

Compound NameNarwedine
PubChem CID10356588
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(1S,12S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-one
SMILESCN1CC[C@@]23C=CC(=O)C[C@@H]2OC4=C(C=CC(=C34)C1)OC
InChIInChI=1S/C17H19NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,14H,7-10H2,1-2H3/t14-,17-/m0/s1
InChIKeyQENVUHCAYXAROT-YOEHRIQHSA-N
XLogP1.70
TPSA38.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity477

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9651
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Sanguinine
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Lycoramine
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N-(14-methylallyl)norgalanthamine
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N-Allylnorgalanthamine
CID 44447598
Benzgalantamine
CID 44240142
Galanthaminon
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O-Acetylgalanthamine
CID 10131512

Frequently Asked Questions

What is the IUPAC name of Narwedine?
The IUPAC name of Narwedine (CID 10356588) is (1S,12S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-one.
What is the SMILES notation for Narwedine?
The canonical SMILES for Narwedine is CN1CC[C@@]23C=CC(=O)C[C@@H]2OC4=C(C=CC(=C34)C1)OC.
What is the InChIKey of Narwedine?
The InChIKey is QENVUHCAYXAROT-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H19NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,14H,7-10H2,1-2H3/t14-,17-/m0/s1.
What are the key properties of Narwedine?
Narwedine has a molecular weight of 285.34 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Narwedine is sourced from PubChem (CID 10356588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).