methanamine;2,4,5,6-tetrahydro-1H-2-benzazocin-3-one

C12H18N2O — CID 143489606

IUPACmethanamine;2,4,5,6-tetrahydro-1H-2-benzazocin-3-one
SMILESCN.O=C1CCCc2ccccc2CN1
InChIInChI=1S/C11H13NO.CH5N/c13-11-7-3-6-9-4-1-2-5-10(9)8-12-11;1-2/h1-2,4-5H,3,6-8H2,(H,12,13);2H2,1H3
InChIKeyFVBRJYLCPBKCSK-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.21
Rot. Bonds

About methanamine;2,4,5,6-tetrahydro-1H-2-benzazocin-3-one

methanamine;2,4,5,6-tetrahydro-1H-2-benzazocin-3-one (PubChem CID 143489606) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is methanamine;2,4,5,6-tetrahydro-1H-2-benzazocin-3-one.

Molecular Properties

Compound Namemethanamine;2,4,5,6-tetrahydro-1H-2-benzazocin-3-one
PubChem CID143489606
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Namemethanamine;2,4,5,6-tetrahydro-1H-2-benzazocin-3-one
SMILESCN.O=C1CCCc2ccccc2CN1
InChIInChI=1S/C11H13NO.CH5N/c13-11-7-3-6-9-4-1-2-5-10(9)8-12-11;1-2/h1-2,4-5H,3,6-8H2,(H,12,13);2H2,1H3
InChIKeyFVBRJYLCPBKCSK-UHFFFAOYSA-N
XLogP1.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methanamine;2,4,5,6-tetrahydro-1H-2-benzazocin-3-one?
The IUPAC name of methanamine;2,4,5,6-tetrahydro-1H-2-benzazocin-3-one (CID 143489606) is methanamine;2,4,5,6-tetrahydro-1H-2-benzazocin-3-one.
What is the SMILES notation for methanamine;2,4,5,6-tetrahydro-1H-2-benzazocin-3-one?
The canonical SMILES for methanamine;2,4,5,6-tetrahydro-1H-2-benzazocin-3-one is CN.O=C1CCCc2ccccc2CN1.
What is the InChIKey of methanamine;2,4,5,6-tetrahydro-1H-2-benzazocin-3-one?
The InChIKey is FVBRJYLCPBKCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.CH5N/c13-11-7-3-6-9-4-1-2-5-10(9)8-12-11;1-2/h1-2,4-5H,3,6-8H2,(H,12,13);2H2,1H3.
What are the key properties of methanamine;2,4,5,6-tetrahydro-1H-2-benzazocin-3-one?
methanamine;2,4,5,6-tetrahydro-1H-2-benzazocin-3-one has a molecular weight of 206.29 g/mol, XLogP of 1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2,4,5,6-tetrahydro-1H-2-benzazocin-3-one is sourced from PubChem (CID 143489606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).