carbanide;2-methanidyl-3-(methoxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;yttrium

C15H20N2OY-2 — CID 59190013

IUPACcarbanide;2-methanidyl-3-(methoxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;yttrium
SMILES[CH2-]N1Cc2[nH]c3ccccc3c2CC1COC.[CH3-].[Y]
InChIInChI=1S/C14H17N2O.CH3.Y/c1-16-8-14-12(7-10(16)9-17-2)11-5-3-4-6-13(11)15-14;;/h3-6,10,15H,1,7-9H2,2H3;1H3;/q2*-1;
InChIKeyBJZPHKVQDXCXMX-UHFFFAOYSA-N
MW333.24 g/mol
LogP2.78
Rot. Bonds2

About carbanide;2-methanidyl-3-(methoxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;yttrium

carbanide;2-methanidyl-3-(methoxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;yttrium (PubChem CID 59190013) has the molecular formula C15H20N2OY-2 and a molecular weight of 333.24 g/mol. Its IUPAC name is carbanide;2-methanidyl-3-(methoxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;yttrium.

Molecular Properties

Compound Namecarbanide;2-methanidyl-3-(methoxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;yttrium
PubChem CID59190013
Molecular FormulaC15H20N2OY-2
Molecular Weight333.24 g/mol
Exact Mass333.06
IUPAC Namecarbanide;2-methanidyl-3-(methoxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;yttrium
SMILES[CH2-]N1Cc2[nH]c3ccccc3c2CC1COC.[CH3-].[Y]
InChIInChI=1S/C14H17N2O.CH3.Y/c1-16-8-14-12(7-10(16)9-17-2)11-5-3-4-6-13(11)15-14;;/h3-6,10,15H,1,7-9H2,2H3;1H3;/q2*-1;
InChIKeyBJZPHKVQDXCXMX-UHFFFAOYSA-N
XLogP2.78
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;2-methanidyl-3-(methoxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-(methoxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioic acid
CID 88678040
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658
(3S)-2-(2,2-difluoroethyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 170727866
2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 89161688
(3R)-2-cyclobutyl-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 154987704
2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 130330595
1,1-difluoro-2-(3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanamine
CID 174310707
(3R)-3-methyl-2-(3,3,3-trifluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 121427754
benzyl (3R)-3-(2-hydroxyethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 13375570
methyl (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;dihydrochloride
CID 156599856
methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
CID 102568781
methyl (3S)-2-(propan-2-ylcarbamoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 57395527

Frequently Asked Questions

What is the IUPAC name of carbanide;2-methanidyl-3-(methoxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;yttrium?
The IUPAC name of carbanide;2-methanidyl-3-(methoxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;yttrium (CID 59190013) is carbanide;2-methanidyl-3-(methoxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;yttrium.
What is the SMILES notation for carbanide;2-methanidyl-3-(methoxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;yttrium?
The canonical SMILES for carbanide;2-methanidyl-3-(methoxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;yttrium is [CH2-]N1Cc2[nH]c3ccccc3c2CC1COC.[CH3-].[Y].
What is the InChIKey of carbanide;2-methanidyl-3-(methoxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;yttrium?
The InChIKey is BJZPHKVQDXCXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N2O.CH3.Y/c1-16-8-14-12(7-10(16)9-17-2)11-5-3-4-6-13(11)15-14;;/h3-6,10,15H,1,7-9H2,2H3;1H3;/q2*-1;.
What are the key properties of carbanide;2-methanidyl-3-(methoxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;yttrium?
carbanide;2-methanidyl-3-(methoxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;yttrium has a molecular weight of 333.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-methanidyl-3-(methoxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;yttrium is sourced from PubChem (CID 59190013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).