CID 144882836

C20H29INO2 — CID 144882836

IUPAC—
SMILESCC.CC1=C(N2CCC3(CCCCC3)C2=O)CC2=C[CH]C2C1=O.I
InChIInChI=1S/C18H22NO2.C2H6.HI/c1-12-15(11-13-5-6-14(13)16(12)20)19-10-9-18(17(19)21)7-3-2-4-8-18;1-2;/h5-6,14H,2-4,7-11H2,1H3;1-2H3;1H
InChIKeyFMTTXQPPUBJPPM-UHFFFAOYSA-N
MW442.36 g/mol
LogP4.82
Rot. Bonds1

About CID 144882836

CID 144882836 (PubChem CID 144882836) has the molecular formula C20H29INO2 and a molecular weight of 442.36 g/mol.

Molecular Properties

Compound NameCID 144882836
PubChem CID144882836
Molecular FormulaC20H29INO2
Molecular Weight442.36 g/mol
Exact Mass442.12
IUPAC Name—
SMILESCC.CC1=C(N2CCC3(CCCCC3)C2=O)CC2=C[CH]C2C1=O.I
InChIInChI=1S/C18H22NO2.C2H6.HI/c1-12-15(11-13-5-6-14(13)16(12)20)19-10-9-18(17(19)21)7-3-2-4-8-18;1-2;/h5-6,14H,2-4,7-11H2,1H3;1-2H3;1H
InChIKeyFMTTXQPPUBJPPM-UHFFFAOYSA-N
XLogP4.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decane-1,8-dione
CID 118234496
2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one
CID 144882861
Ethane;2-(4-methyl-5-oxo-3-bicyclo[4.1.0]hepta-1(7),3-dienyl)-2-azaspiro[4.5]decan-1-one;hydroiodide
CID 144882933
8-methyl-2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one
CID 144882937
CID 144882761
CID 144882761
2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one
CID 144882775
2-(4-Methyl-5-oxo-3-bicyclo[4.1.0]hepta-1(7),3-dienyl)-2-azaspiro[4.5]decan-1-one
CID 144882804
2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-8-methyl-2-azaspiro[4.5]decan-1-one
CID 144882816
2-[(E)-1-cyclobutyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one
CID 144882827
2-(5-Oxo-3-bicyclo[4.2.0]octa-1(6),3,7-trienyl)-2-azaspiro[4.5]decan-1-one
CID 144882843
CID 144882916
CID 144882916

Frequently Asked Questions

What is the IUPAC name of CID 144882836?
The IUPAC name of CID 144882836 (CID 144882836) is not available.
What is the SMILES notation for CID 144882836?
The canonical SMILES for CID 144882836 is CC.CC1=C(N2CCC3(CCCCC3)C2=O)CC2=C[CH]C2C1=O.I.
What is the InChIKey of CID 144882836?
The InChIKey is FMTTXQPPUBJPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NO2.C2H6.HI/c1-12-15(11-13-5-6-14(13)16(12)20)19-10-9-18(17(19)21)7-3-2-4-8-18;1-2;/h5-6,14H,2-4,7-11H2,1H3;1-2H3;1H.
What are the key properties of CID 144882836?
CID 144882836 has a molecular weight of 442.36 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144882836 is sourced from PubChem (CID 144882836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).