CID 174859207

C8H15AlN — CID 174859207

IUPAC—
SMILESCC[Al]CC.c1cc[nH]c1
InChIInChI=1S/C4H5N.2C2H5.Al/c1-2-4-5-3-1;2*1-2;/h1-5H;2*1H2,2H3;
InChIKeyATCTYIUZSGJQNK-UHFFFAOYSA-N
MW152.20 g/mol
LogP2.58
Rot. Bonds2

About CID 174859207

CID 174859207 (PubChem CID 174859207) has the molecular formula C8H15AlN and a molecular weight of 152.20 g/mol.

Molecular Properties

Compound NameCID 174859207
PubChem CID174859207
Molecular FormulaC8H15AlN
Molecular Weight152.20 g/mol
Exact Mass152.10
IUPAC Name—
SMILESCC[Al]CC.c1cc[nH]c1
InChIInChI=1S/C4H5N.2C2H5.Al/c1-2-4-5-3-1;2*1-2;/h1-5H;2*1H2,2H3;
InChIKeyATCTYIUZSGJQNK-UHFFFAOYSA-N
XLogP2.58
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 174859207?
The IUPAC name of CID 174859207 (CID 174859207) is not available.
What is the SMILES notation for CID 174859207?
The canonical SMILES for CID 174859207 is CC[Al]CC.c1cc[nH]c1.
What is the InChIKey of CID 174859207?
The InChIKey is ATCTYIUZSGJQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.2C2H5.Al/c1-2-4-5-3-1;2*1-2;/h1-5H;2*1H2,2H3;.
What are the key properties of CID 174859207?
CID 174859207 has a molecular weight of 152.20 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174859207 is sourced from PubChem (CID 174859207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).