CID 91576347

C20H27N3O2 — CID 91576347

IUPAC—
SMILESCc1ccc2c(c1)C1(CC3(CC(C)CC(C)C3)O2)N=C(N)N(C)C1=O
InChIInChI=1S/C20H27N3O2/c1-12-5-6-16-15(8-12)20(17(24)23(4)18(21)22-20)11-19(25-16)9-13(2)7-14(3)10-19/h5-6,8,13-14H,7,9-11H2,1-4H3,(H2,21,22)
InChIKeyGGKBZNIRGGUDPT-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.95
Rot. Bonds

About CID 91576347

CID 91576347 (PubChem CID 91576347) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol.

Molecular Properties

Compound NameCID 91576347
PubChem CID91576347
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name—
SMILESCc1ccc2c(c1)C1(CC3(CC(C)CC(C)C3)O2)N=C(N)N(C)C1=O
InChIInChI=1S/C20H27N3O2/c1-12-5-6-16-15(8-12)20(17(24)23(4)18(21)22-20)11-19(25-16)9-13(2)7-14(3)10-19/h5-6,8,13-14H,7,9-11H2,1-4H3,(H2,21,22)
InChIKeyGGKBZNIRGGUDPT-UHFFFAOYSA-N
XLogP2.95
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 91576347?
The IUPAC name of CID 91576347 (CID 91576347) is not available.
What is the SMILES notation for CID 91576347?
The canonical SMILES for CID 91576347 is Cc1ccc2c(c1)C1(CC3(CC(C)CC(C)C3)O2)N=C(N)N(C)C1=O.
What is the InChIKey of CID 91576347?
The InChIKey is GGKBZNIRGGUDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-12-5-6-16-15(8-12)20(17(24)23(4)18(21)22-20)11-19(25-16)9-13(2)7-14(3)10-19/h5-6,8,13-14H,7,9-11H2,1-4H3,(H2,21,22).
What are the key properties of CID 91576347?
CID 91576347 has a molecular weight of 341.46 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91576347 is sourced from PubChem (CID 91576347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).