CID 162419817

C13H18NO- — CID 162419817

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/q-1
InChIKeyVNFGDYDYIGUJKC-UHFFFAOYSA-N
MW204.29 g/mol
LogP2.33
Rot. Bonds

About CID 162419817

CID 162419817 (PubChem CID 162419817) has the molecular formula C13H18NO- and a molecular weight of 204.29 g/mol.

Molecular Properties

Compound NameCID 162419817
PubChem CID162419817
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/q-1
InChIKeyVNFGDYDYIGUJKC-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 162419817?
The IUPAC name of CID 162419817 (CID 162419817) is not available.
What is the SMILES notation for CID 162419817?
The canonical SMILES for CID 162419817 is CC(C)(C)N1CC2(C=C[CH-]C=C2)CC1=O.
What is the InChIKey of CID 162419817?
The InChIKey is VNFGDYDYIGUJKC-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/q-1.
What are the key properties of CID 162419817?
CID 162419817 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 162419817 is sourced from PubChem (CID 162419817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).