1-[(1R,11R)-1-methyl-11-propan-2-yl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraen-9-yl]ethanone

C20H25NO — CID 14710394

IUPAC1-[(1R,11R)-1-methyl-11-propan-2-yl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraen-9-yl]ethanone
SMILESCC(=O)N1c2ccccc2C2C1[C@]1(C(C)C)C=C[C@@]2(C)CC1
InChIInChI=1S/C20H25NO/c1-13(2)20-11-9-19(4,10-12-20)17-15-7-5-6-8-16(15)21(14(3)22)18(17)20/h5-9,11,13,17-18H,10,12H2,1-4H3/t17?,18?,19-,20+/m0/s1
InChIKeyVTZDXHQVRPKSCU-GHBBCFCZSA-N
MW295.43 g/mol
LogP4.52
Rot. Bonds1

About 1-[(1R,11R)-1-methyl-11-propan-2-yl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraen-9-yl]ethanone

1-[(1R,11R)-1-methyl-11-propan-2-yl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraen-9-yl]ethanone (PubChem CID 14710394) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[(1R,11R)-1-methyl-11-propan-2-yl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraen-9-yl]ethanone.

Molecular Properties

Compound Name1-[(1R,11R)-1-methyl-11-propan-2-yl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraen-9-yl]ethanone
PubChem CID14710394
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-[(1R,11R)-1-methyl-11-propan-2-yl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraen-9-yl]ethanone
SMILESCC(=O)N1c2ccccc2C2C1[C@]1(C(C)C)C=C[C@@]2(C)CC1
InChIInChI=1S/C20H25NO/c1-13(2)20-11-9-19(4,10-12-20)17-15-7-5-6-8-16(15)21(14(3)22)18(17)20/h5-9,11,13,17-18H,10,12H2,1-4H3/t17?,18?,19-,20+/m0/s1
InChIKeyVTZDXHQVRPKSCU-GHBBCFCZSA-N
XLogP4.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(1R,11R)-1-methyl-11-propan-2-yl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraen-9-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,11R)-1-methyl-11-propan-2-yl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraen-9-yl]ethanone?
The IUPAC name of 1-[(1R,11R)-1-methyl-11-propan-2-yl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraen-9-yl]ethanone (CID 14710394) is 1-[(1R,11R)-1-methyl-11-propan-2-yl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraen-9-yl]ethanone.
What is the SMILES notation for 1-[(1R,11R)-1-methyl-11-propan-2-yl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraen-9-yl]ethanone?
The canonical SMILES for 1-[(1R,11R)-1-methyl-11-propan-2-yl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraen-9-yl]ethanone is CC(=O)N1c2ccccc2C2C1[C@]1(C(C)C)C=C[C@@]2(C)CC1.
What is the InChIKey of 1-[(1R,11R)-1-methyl-11-propan-2-yl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraen-9-yl]ethanone?
The InChIKey is VTZDXHQVRPKSCU-GHBBCFCZSA-N. The full InChI is InChI=1S/C20H25NO/c1-13(2)20-11-9-19(4,10-12-20)17-15-7-5-6-8-16(15)21(14(3)22)18(17)20/h5-9,11,13,17-18H,10,12H2,1-4H3/t17?,18?,19-,20+/m0/s1.
What are the key properties of 1-[(1R,11R)-1-methyl-11-propan-2-yl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraen-9-yl]ethanone?
1-[(1R,11R)-1-methyl-11-propan-2-yl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraen-9-yl]ethanone has a molecular weight of 295.43 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,11R)-1-methyl-11-propan-2-yl-9-azatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraen-9-yl]ethanone is sourced from PubChem (CID 14710394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).