CID 144882761

C18H22NO2 — CID 144882761

IUPAC—
SMILESCC1=C(N2CCC3(CCCCC3)C2=O)CC2=C[CH]C2C1=O
InChIInChI=1S/C18H22NO2/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/h5-6,14H,2-4,7-11H2,1H3
InChIKeyPHKRUTIVKIMTAQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.18
Rot. Bonds1

About CID 144882761

CID 144882761 (PubChem CID 144882761) has the molecular formula C18H22NO2 and a molecular weight of 284.38 g/mol.

Molecular Properties

Compound NameCID 144882761
PubChem CID144882761
Molecular FormulaC18H22NO2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name—
SMILESCC1=C(N2CCC3(CCCCC3)C2=O)CC2=C[CH]C2C1=O
InChIInChI=1S/C18H22NO2/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/h5-6,14H,2-4,7-11H2,1H3
InChIKeyPHKRUTIVKIMTAQ-UHFFFAOYSA-N
XLogP3.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4aS)-1,4a-dimethyl-7-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3,4,5,6-tetrahydronaphthalen-2-one
CID 10946553
6-[(4-Fluorocyclohexyl)methyl]-3,3,4-trimethyl-1-propanoyl-2,4-dihydroindol-5-one
CID 170603599
1-Heptyl-3,3a,4,5-tetrahydroindole-2,6-dione
CID 101841397
1-Cyclohexyl-3,3a,4,5-tetrahydroindole-2,6-dione
CID 101841405
2-(2-Methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decane-1,8-dione
CID 118234496
CID 144882836
CID 144882836
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
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

Frequently Asked Questions

What is the IUPAC name of CID 144882761?
The IUPAC name of CID 144882761 (CID 144882761) is not available.
What is the SMILES notation for CID 144882761?
The canonical SMILES for CID 144882761 is CC1=C(N2CCC3(CCCCC3)C2=O)CC2=C[CH]C2C1=O.
What is the InChIKey of CID 144882761?
The InChIKey is PHKRUTIVKIMTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NO2/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/h5-6,14H,2-4,7-11H2,1H3.
What are the key properties of CID 144882761?
CID 144882761 has a molecular weight of 284.38 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144882761 is sourced from PubChem (CID 144882761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).