CID 135027953

C9H17NO+ — CID 135027953

IUPAC—
SMILES[CH2+]C1(C)CCCC(C)(C)N1[O]
InChIInChI=1S/C9H17NO/c1-8(2)6-5-7-9(3,4)10(8)11/h1,5-7H2,2-4H3/q+1
InChIKeyKSFIKKQBWJJTPS-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.19
Rot. Bonds

About CID 135027953

CID 135027953 (PubChem CID 135027953) has the molecular formula C9H17NO+ and a molecular weight of 155.24 g/mol.

Molecular Properties

Compound NameCID 135027953
PubChem CID135027953
Molecular FormulaC9H17NO+
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name—
SMILES[CH2+]C1(C)CCCC(C)(C)N1[O]
InChIInChI=1S/C9H17NO/c1-8(2)6-5-7-9(3,4)10(8)11/h1,5-7H2,2-4H3/q+1
InChIKeyKSFIKKQBWJJTPS-UHFFFAOYSA-N
XLogP2.19
TPSA23.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.19
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 135027953?
The IUPAC name of CID 135027953 (CID 135027953) is not available.
What is the SMILES notation for CID 135027953?
The canonical SMILES for CID 135027953 is [CH2+]C1(C)CCCC(C)(C)N1[O].
What is the InChIKey of CID 135027953?
The InChIKey is KSFIKKQBWJJTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)6-5-7-9(3,4)10(8)11/h1,5-7H2,2-4H3/q+1.
What are the key properties of CID 135027953?
CID 135027953 has a molecular weight of 155.24 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135027953 is sourced from PubChem (CID 135027953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).