(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methanamine;yttrium

C11H14NOY- — CID 58999611

IUPAC(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methanamine;yttrium
SMILESCc1[c-]c2c(cc1)CCC(CN)O2.[Y]
InChIInChI=1S/C11H14NO.Y/c1-8-2-3-9-4-5-10(7-12)13-11(9)6-8;/h2-3,10H,4-5,7,12H2,1H3;/q-1;
InChIKeyQCUCBWPSCKJRCE-UHFFFAOYSA-N
MW265.14 g/mol
LogP1.45
Rot. Bonds1

About (7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methanamine;yttrium

(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methanamine;yttrium (PubChem CID 58999611) has the molecular formula C11H14NOY- and a molecular weight of 265.14 g/mol. Its IUPAC name is (7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methanamine;yttrium.

Molecular Properties

Compound Name(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methanamine;yttrium
PubChem CID58999611
Molecular FormulaC11H14NOY-
Molecular Weight265.14 g/mol
Exact Mass265.01
IUPAC Name(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methanamine;yttrium
SMILESCc1[c-]c2c(cc1)CCC(CN)O2.[Y]
InChIInChI=1S/C11H14NO.Y/c1-8-2-3-9-4-5-10(7-12)13-11(9)6-8;/h2-3,10H,4-5,7,12H2,1H3;/q-1;
InChIKeyQCUCBWPSCKJRCE-UHFFFAOYSA-N
XLogP1.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-(Azidomethyl)-7-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium
CID 58999609
N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium
CID 58999634
2,3,4,6-Tetrahydrochromen-1-ium-6-id-2-ylmethanamine;yttrium
CID 59060836
2,3,4,6-Tetrahydrochromen-6-id-2-amine;yttrium
CID 59060849
3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium
CID 59106161
2,3,4,6-Tetrahydrochromen-6-id-2-ylmethanamine;yttrium
CID 59118243
2,3,4,6-Tetrahydrochromen-6-id-2-amine;yttrium(3+)
CID 20627837
2,3,4,6-Tetrahydrochromen-6-id-2-ylmethanamine;yttrium(3+)
CID 20627839

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methanamine;yttrium?
The IUPAC name of (7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methanamine;yttrium (CID 58999611) is (7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methanamine;yttrium.
What is the SMILES notation for (7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methanamine;yttrium?
The canonical SMILES for (7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methanamine;yttrium is Cc1[c-]c2c(cc1)CCC(CN)O2.[Y].
What is the InChIKey of (7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methanamine;yttrium?
The InChIKey is QCUCBWPSCKJRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO.Y/c1-8-2-3-9-4-5-10(7-12)13-11(9)6-8;/h2-3,10H,4-5,7,12H2,1H3;/q-1;.
What are the key properties of (7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methanamine;yttrium?
(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methanamine;yttrium has a molecular weight of 265.14 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methanamine;yttrium is sourced from PubChem (CID 58999611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).