CID 178029923

C17H25KNO — CID 178029923

IUPAC—
SMILESCCC(CC(C)(C)C(C)=O)c1c[nH]c2ccccc12.[H][H].[K]
InChIInChI=1S/C17H23NO.K.H2/c1-5-13(10-17(3,4)12(2)19)15-11-18-16-9-7-6-8-14(15)16;;/h6-9,11,13,18H,5,10H2,1-4H3;;1H
InChIKeyMGXAFCFZGQNNQV-UHFFFAOYSA-N
MW298.49 g/mol
LogP4.53
Rot. Bonds5

About CID 178029923

CID 178029923 (PubChem CID 178029923) has the molecular formula C17H25KNO and a molecular weight of 298.49 g/mol.

Molecular Properties

Compound NameCID 178029923
PubChem CID178029923
Molecular FormulaC17H25KNO
Molecular Weight298.49 g/mol
Exact Mass298.16
IUPAC Name—
SMILESCCC(CC(C)(C)C(C)=O)c1c[nH]c2ccccc12.[H][H].[K]
InChIInChI=1S/C17H23NO.K.H2/c1-5-13(10-17(3,4)12(2)19)15-11-18-16-9-7-6-8-14(15)16;;/h6-9,11,13,18H,5,10H2,1-4H3;;1H
InChIKeyMGXAFCFZGQNNQV-UHFFFAOYSA-N
XLogP4.53
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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chloro 3-(1H-indol-3-yl)octanoate
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Frequently Asked Questions

What is the IUPAC name of CID 178029923?
The IUPAC name of CID 178029923 (CID 178029923) is not available.
What is the SMILES notation for CID 178029923?
The canonical SMILES for CID 178029923 is CCC(CC(C)(C)C(C)=O)c1c[nH]c2ccccc12.[H][H].[K].
What is the InChIKey of CID 178029923?
The InChIKey is MGXAFCFZGQNNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO.K.H2/c1-5-13(10-17(3,4)12(2)19)15-11-18-16-9-7-6-8-14(15)16;;/h6-9,11,13,18H,5,10H2,1-4H3;;1H.
What are the key properties of CID 178029923?
CID 178029923 has a molecular weight of 298.49 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178029923 is sourced from PubChem (CID 178029923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).