CID 146047196

C20H23N3O2 — CID 146047196

IUPAC—
SMILESC#Cc1ccc2c(c1)[C@]1(N=C(N)N(C)C1=O)C1(CCC(OC)CC1)C2
InChIInChI=1S/C20H23N3O2/c1-4-13-5-6-14-12-19(9-7-15(25-3)8-10-19)20(16(14)11-13)17(24)23(2)18(21)22-20/h1,5-6,11,15H,7-10,12H2,2-3H3,(H2,21,22)/t15?,19?,20-/m1/s1
InChIKeyPJQDCZWRRAXUDS-RGKRWLCDSA-N
MW337.42 g/mol
LogP1.78
Rot. Bonds1

About CID 146047196

CID 146047196 (PubChem CID 146047196) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol.

Molecular Properties

Compound NameCID 146047196
PubChem CID146047196
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name—
SMILESC#Cc1ccc2c(c1)[C@]1(N=C(N)N(C)C1=O)C1(CCC(OC)CC1)C2
InChIInChI=1S/C20H23N3O2/c1-4-13-5-6-14-12-19(9-7-15(25-3)8-10-19)20(16(14)11-13)17(24)23(2)18(21)22-20/h1,5-6,11,15H,7-10,12H2,2-3H3,(H2,21,22)/t15?,19?,20-/m1/s1
InChIKeyPJQDCZWRRAXUDS-RGKRWLCDSA-N
XLogP1.78
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 146047196?
The IUPAC name of CID 146047196 (CID 146047196) is not available.
What is the SMILES notation for CID 146047196?
The canonical SMILES for CID 146047196 is C#Cc1ccc2c(c1)[C@]1(N=C(N)N(C)C1=O)C1(CCC(OC)CC1)C2.
What is the InChIKey of CID 146047196?
The InChIKey is PJQDCZWRRAXUDS-RGKRWLCDSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-13-5-6-14-12-19(9-7-15(25-3)8-10-19)20(16(14)11-13)17(24)23(2)18(21)22-20/h1,5-6,11,15H,7-10,12H2,2-3H3,(H2,21,22)/t15?,19?,20-/m1/s1.
What are the key properties of CID 146047196?
CID 146047196 has a molecular weight of 337.42 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146047196 is sourced from PubChem (CID 146047196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).