N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]propanamide;yttrium

C14H18NO2Y- — CID 58999636

IUPACN-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]propanamide;yttrium
SMILESCCC(=O)NCC1CCc2ccc(C)[c-]c2O1.[Y]
InChIInChI=1S/C14H18NO2.Y/c1-3-14(16)15-9-12-7-6-11-5-4-10(2)8-13(11)17-12;/h4-5,12H,3,6-7,9H2,1-2H3,(H,15,16);/q-1;
InChIKeyKRWNYBIIXQHSPW-UHFFFAOYSA-N
MW321.21 g/mol
LogP2.01
Rot. Bonds3

About N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]propanamide;yttrium

N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]propanamide;yttrium (PubChem CID 58999636) has the molecular formula C14H18NO2Y- and a molecular weight of 321.21 g/mol. Its IUPAC name is N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]propanamide;yttrium.

Molecular Properties

Compound NameN-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]propanamide;yttrium
PubChem CID58999636
Molecular FormulaC14H18NO2Y-
Molecular Weight321.21 g/mol
Exact Mass321.04
IUPAC NameN-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]propanamide;yttrium
SMILESCCC(=O)NCC1CCc2ccc(C)[c-]c2O1.[Y]
InChIInChI=1S/C14H18NO2.Y/c1-3-14(16)15-9-12-7-6-11-5-4-10(2)8-13(11)17-12;/h4-5,12H,3,6-7,9H2,1-2H3,(H,15,16);/q-1;
InChIKeyKRWNYBIIXQHSPW-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 52.01
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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Related Compounds

N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium
CID 58999634
1-(2,3,4,6-Tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium
CID 59060853
N-[(1R,2R)-4-ethenyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 68344507
N-[(7-pentoxy-3H-isochromen-4-yl)methyl]butanamide
CID 88112880
N-[2-(8-methoxy-3,10a-dihydro-2H-xanthen-1-yl)ethyl]acetamide
CID 88250957
N-[1-[5-ethenyl-6-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyran-2-yl]ethyl]propanamide
CID 174319014
1-(2,3,4,6-Tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium(3+)
CID 20627832
N-(2,3,7,8-tetrahydro-1,4-benzodioxin-2-ylmethyl)pentanamide
CID 145342261

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]propanamide;yttrium?
The IUPAC name of N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]propanamide;yttrium (CID 58999636) is N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]propanamide;yttrium.
What is the SMILES notation for N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]propanamide;yttrium?
The canonical SMILES for N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]propanamide;yttrium is CCC(=O)NCC1CCc2ccc(C)[c-]c2O1.[Y].
What is the InChIKey of N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]propanamide;yttrium?
The InChIKey is KRWNYBIIXQHSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18NO2.Y/c1-3-14(16)15-9-12-7-6-11-5-4-10(2)8-13(11)17-12;/h4-5,12H,3,6-7,9H2,1-2H3,(H,15,16);/q-1;.
What are the key properties of N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]propanamide;yttrium?
N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]propanamide;yttrium has a molecular weight of 321.21 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]propanamide;yttrium is sourced from PubChem (CID 58999636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).