(2R)-5-amino-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol

C16H15NO — CID 125494388

IUPAC(2R)-5-amino-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol
SMILESC[C@@]1(O)c2ccccc2C=Cc2ccc(N)cc21
InChIInChI=1S/C16H15NO/c1-16(18)14-5-3-2-4-11(14)6-7-12-8-9-13(17)10-15(12)16/h2-10,18H,17H2,1H3/t16-/m1/s1
InChIKeyFBMIZWGJHCQENC-MRXNPFEDSA-N
MW237.30 g/mol
LogP3.01
Rot. Bonds

About (2R)-5-amino-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol

(2R)-5-amino-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol (PubChem CID 125494388) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (2R)-5-amino-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol.

Molecular Properties

Compound Name(2R)-5-amino-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol
PubChem CID125494388
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(2R)-5-amino-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol
SMILESC[C@@]1(O)c2ccccc2C=Cc2ccc(N)cc21
InChIInChI=1S/C16H15NO/c1-16(18)14-5-3-2-4-11(14)6-7-12-8-9-13(17)10-15(12)16/h2-10,18H,17H2,1H3/t16-/m1/s1
InChIKeyFBMIZWGJHCQENC-MRXNPFEDSA-N
XLogP3.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol?
The IUPAC name of (2R)-5-amino-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol (CID 125494388) is (2R)-5-amino-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol.
What is the SMILES notation for (2R)-5-amino-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol?
The canonical SMILES for (2R)-5-amino-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol is C[C@@]1(O)c2ccccc2C=Cc2ccc(N)cc21.
What is the InChIKey of (2R)-5-amino-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol?
The InChIKey is FBMIZWGJHCQENC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15NO/c1-16(18)14-5-3-2-4-11(14)6-7-12-8-9-13(17)10-15(12)16/h2-10,18H,17H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-5-amino-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol?
(2R)-5-amino-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol has a molecular weight of 237.30 g/mol, XLogP of 3.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol is sourced from PubChem (CID 125494388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).