CID 145381893

C22H24N2O — CID 145381893

IUPAC—
SMILESO=C1Nc2ccccc2[C@@]12C(c1ccccc1)CNC21CCCCC1
InChIInChI=1S/C22H24N2O/c25-20-22(17-11-5-6-12-19(17)24-20)18(16-9-3-1-4-10-16)15-23-21(22)13-7-2-8-14-21/h1,3-6,9-12,18,23H,2,7-8,13-15H2,(H,24,25)/t18?,22-/m1/s1
InChIKeyCHSIECSPLOJMOH-LMNIDFBRSA-N
MW332.45 g/mol
LogP3.97
Rot. Bonds1

About CID 145381893

CID 145381893 (PubChem CID 145381893) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol.

Molecular Properties

Compound NameCID 145381893
PubChem CID145381893
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name—
SMILESO=C1Nc2ccccc2[C@@]12C(c1ccccc1)CNC21CCCCC1
InChIInChI=1S/C22H24N2O/c25-20-22(17-11-5-6-12-19(17)24-20)18(16-9-3-1-4-10-16)15-23-21(22)13-7-2-8-14-21/h1,3-6,9-12,18,23H,2,7-8,13-15H2,(H,24,25)/t18?,22-/m1/s1
InChIKeyCHSIECSPLOJMOH-LMNIDFBRSA-N
XLogP3.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
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molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
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spiro[3,4-dihydro-1H-1-benzazepine-5,1'-cyclohexane]-2-one
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(3S,3aR,6aS)-5-cyclohexylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 7456136
8-[1-(2-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 11750018
CID 146949857
CID 146949857
3-phenoxy-3-phenyl-1H-indol-2-one
CID 86077278
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CID 125180932

Frequently Asked Questions

What is the IUPAC name of CID 145381893?
The IUPAC name of CID 145381893 (CID 145381893) is not available.
What is the SMILES notation for CID 145381893?
The canonical SMILES for CID 145381893 is O=C1Nc2ccccc2[C@@]12C(c1ccccc1)CNC21CCCCC1.
What is the InChIKey of CID 145381893?
The InChIKey is CHSIECSPLOJMOH-LMNIDFBRSA-N. The full InChI is InChI=1S/C22H24N2O/c25-20-22(17-11-5-6-12-19(17)24-20)18(16-9-3-1-4-10-16)15-23-21(22)13-7-2-8-14-21/h1,3-6,9-12,18,23H,2,7-8,13-15H2,(H,24,25)/t18?,22-/m1/s1.
What are the key properties of CID 145381893?
CID 145381893 has a molecular weight of 332.45 g/mol, XLogP of 3.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145381893 is sourced from PubChem (CID 145381893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).