CID 11798984

C23H25N2O2 — CID 11798984

IUPAC—
SMILESCOC(=O)C1CN(C2CCC[C]3[CH][CH][CH][C]32)CCc2c1[nH]c1ccccc21
InChIInChI=1S/C23H25N2O2/c1-27-23(26)19-14-25(21-11-5-7-15-6-4-9-16(15)21)13-12-18-17-8-2-3-10-20(17)24-22(18)19/h2-4,6,8-10,19,21,24H,5,7,11-14H2,1H3
InChIKeyKUNCHWILPFCXLQ-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.61
Rot. Bonds2

About CID 11798984

CID 11798984 (PubChem CID 11798984) has the molecular formula C23H25N2O2 and a molecular weight of 361.47 g/mol.

Molecular Properties

Compound NameCID 11798984
PubChem CID11798984
Molecular FormulaC23H25N2O2
Molecular Weight361.47 g/mol
Exact Mass361.19
IUPAC Name—
SMILESCOC(=O)C1CN(C2CCC[C]3[CH][CH][CH][C]32)CCc2c1[nH]c1ccccc21
InChIInChI=1S/C23H25N2O2/c1-27-23(26)19-14-25(21-11-5-7-15-6-4-9-16(15)21)13-12-18-17-8-2-3-10-20(17)24-22(18)19/h2-4,6,8-10,19,21,24H,5,7,11-14H2,1H3
InChIKeyKUNCHWILPFCXLQ-UHFFFAOYSA-N
XLogP3.61
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(111C)methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
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methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
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methyl 3-[(4S)-5,5-dimethyl-1,4,6,7-tetrahydroinden-4-yl]-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate
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methyl (1S,15R,18S,19R,20R)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride
CID 131707600
methyl (1S,15S,18S,19R,20S)-18-methyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
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methyl (5S)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate
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methyl (1S,15R,17S,18R,19R,20S)-17,18-dihydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
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methyl 18-hydroxy-1,3,11,12,14,17,18,19,20,21-decahydroyohimban-19-carboxylate
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methyl (19R)-16-bromo-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrobromide
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Frequently Asked Questions

What is the IUPAC name of CID 11798984?
The IUPAC name of CID 11798984 (CID 11798984) is not available.
What is the SMILES notation for CID 11798984?
The canonical SMILES for CID 11798984 is COC(=O)C1CN(C2CCC[C]3[CH][CH][CH][C]32)CCc2c1[nH]c1ccccc21.
What is the InChIKey of CID 11798984?
The InChIKey is KUNCHWILPFCXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N2O2/c1-27-23(26)19-14-25(21-11-5-7-15-6-4-9-16(15)21)13-12-18-17-8-2-3-10-20(17)24-22(18)19/h2-4,6,8-10,19,21,24H,5,7,11-14H2,1H3.
What are the key properties of CID 11798984?
CID 11798984 has a molecular weight of 361.47 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11798984 is sourced from PubChem (CID 11798984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).