(11R)-6-amino-2-methyl-9-oxa-4-azatricyclo[9.2.1.03,8]tetradeca-3(8),4,6-triene-5-carbonitrile

C14H17N3O — CID 171095685

IUPAC(11R)-6-amino-2-methyl-9-oxa-4-azatricyclo[9.2.1.03,8]tetradeca-3(8),4,6-triene-5-carbonitrile
SMILESCC1c2nc(C#N)c(N)cc2OC[C@@H]2CCC1C2
InChIInChI=1S/C14H17N3O/c1-8-10-3-2-9(4-10)7-18-13-5-11(16)12(6-15)17-14(8)13/h5,8-10H,2-4,7,16H2,1H3/t8?,9-,10?/m1/s1
InChIKeyNAJAIRSNCOTYBP-HWOCKDDLSA-N
MW243.31 g/mol
LogP2.45
Rot. Bonds

About (11R)-6-amino-2-methyl-9-oxa-4-azatricyclo[9.2.1.03,8]tetradeca-3(8),4,6-triene-5-carbonitrile

(11R)-6-amino-2-methyl-9-oxa-4-azatricyclo[9.2.1.03,8]tetradeca-3(8),4,6-triene-5-carbonitrile (PubChem CID 171095685) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (11R)-6-amino-2-methyl-9-oxa-4-azatricyclo[9.2.1.03,8]tetradeca-3(8),4,6-triene-5-carbonitrile.

Molecular Properties

Compound Name(11R)-6-amino-2-methyl-9-oxa-4-azatricyclo[9.2.1.03,8]tetradeca-3(8),4,6-triene-5-carbonitrile
PubChem CID171095685
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(11R)-6-amino-2-methyl-9-oxa-4-azatricyclo[9.2.1.03,8]tetradeca-3(8),4,6-triene-5-carbonitrile
SMILESCC1c2nc(C#N)c(N)cc2OC[C@@H]2CCC1C2
InChIInChI=1S/C14H17N3O/c1-8-10-3-2-9(4-10)7-18-13-5-11(16)12(6-15)17-14(8)13/h5,8-10H,2-4,7,16H2,1H3/t8?,9-,10?/m1/s1
InChIKeyNAJAIRSNCOTYBP-HWOCKDDLSA-N
XLogP2.45
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (11R)-6-amino-2-methyl-9-oxa-4-azatricyclo[9.2.1.03,8]tetradeca-3(8),4,6-triene-5-carbonitrile?
The IUPAC name of (11R)-6-amino-2-methyl-9-oxa-4-azatricyclo[9.2.1.03,8]tetradeca-3(8),4,6-triene-5-carbonitrile (CID 171095685) is (11R)-6-amino-2-methyl-9-oxa-4-azatricyclo[9.2.1.03,8]tetradeca-3(8),4,6-triene-5-carbonitrile.
What is the SMILES notation for (11R)-6-amino-2-methyl-9-oxa-4-azatricyclo[9.2.1.03,8]tetradeca-3(8),4,6-triene-5-carbonitrile?
The canonical SMILES for (11R)-6-amino-2-methyl-9-oxa-4-azatricyclo[9.2.1.03,8]tetradeca-3(8),4,6-triene-5-carbonitrile is CC1c2nc(C#N)c(N)cc2OC[C@@H]2CCC1C2.
What is the InChIKey of (11R)-6-amino-2-methyl-9-oxa-4-azatricyclo[9.2.1.03,8]tetradeca-3(8),4,6-triene-5-carbonitrile?
The InChIKey is NAJAIRSNCOTYBP-HWOCKDDLSA-N. The full InChI is InChI=1S/C14H17N3O/c1-8-10-3-2-9(4-10)7-18-13-5-11(16)12(6-15)17-14(8)13/h5,8-10H,2-4,7,16H2,1H3/t8?,9-,10?/m1/s1.
What are the key properties of (11R)-6-amino-2-methyl-9-oxa-4-azatricyclo[9.2.1.03,8]tetradeca-3(8),4,6-triene-5-carbonitrile?
(11R)-6-amino-2-methyl-9-oxa-4-azatricyclo[9.2.1.03,8]tetradeca-3(8),4,6-triene-5-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-6-amino-2-methyl-9-oxa-4-azatricyclo[9.2.1.03,8]tetradeca-3(8),4,6-triene-5-carbonitrile is sourced from PubChem (CID 171095685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).