CID 162419816

C13H18NO — CID 162419816

IUPAC—
SMILESCC(C)(C)N1CC2(C=C[CH]C=C2)CC1=O
InChIInChI=1S/C13H18NO/c1-12(2,3)14-10-13(9-11(14)15)7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChIKeyGQGSEFYSRBZGQQ-UHFFFAOYSA-N
MW204.29 g/mol
LogP2.33
Rot. Bonds

About CID 162419816

CID 162419816 (PubChem CID 162419816) has the molecular formula C13H18NO and a molecular weight of 204.29 g/mol.

Molecular Properties

Compound NameCID 162419816
PubChem CID162419816
Molecular FormulaC13H18NO
Molecular Weight204.29 g/mol
Exact Mass204.14
IUPAC Name—
SMILESCC(C)(C)N1CC2(C=C[CH]C=C2)CC1=O
InChIInChI=1S/C13H18NO/c1-12(2,3)14-10-13(9-11(14)15)7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChIKeyGQGSEFYSRBZGQQ-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 162419816?
The IUPAC name of CID 162419816 (CID 162419816) is not available.
What is the SMILES notation for CID 162419816?
The canonical SMILES for CID 162419816 is CC(C)(C)N1CC2(C=C[CH]C=C2)CC1=O.
What is the InChIKey of CID 162419816?
The InChIKey is GQGSEFYSRBZGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18NO/c1-12(2,3)14-10-13(9-11(14)15)7-5-4-6-8-13/h4-8H,9-10H2,1-3H3.
What are the key properties of CID 162419816?
CID 162419816 has a molecular weight of 204.29 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162419816 is sourced from PubChem (CID 162419816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).