ethane;guanidine;methane;1-methylindole;propan-2-one

C17H34N4O — CID 158831393

IUPACethane;guanidine;methane;1-methylindole;propan-2-one
SMILESC.C.CC.CC(C)=O.Cn1ccc2ccccc21.[H]N=C(N)N
InChIInChI=1S/C9H9N.C3H6O.C2H6.CH5N3.2CH4/c1-10-7-6-8-4-2-3-5-9(8)10;1-3(2)4;1-2;2-1(3)4;;/h2-7H,1H3;1-2H3;1-2H3;(H5,2,3,4);2*1H4
InChIKeyIXBXUTXOTHFZRC-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.91
Rot. Bonds

About ethane;guanidine;methane;1-methylindole;propan-2-one

ethane;guanidine;methane;1-methylindole;propan-2-one (PubChem CID 158831393) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is ethane;guanidine;methane;1-methylindole;propan-2-one.

Molecular Properties

Compound Nameethane;guanidine;methane;1-methylindole;propan-2-one
PubChem CID158831393
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Nameethane;guanidine;methane;1-methylindole;propan-2-one
SMILESC.C.CC.CC(C)=O.Cn1ccc2ccccc21.[H]N=C(N)N
InChIInChI=1S/C9H9N.C3H6O.C2H6.CH5N3.2CH4/c1-10-7-6-8-4-2-3-5-9(8)10;1-3(2)4;1-2;2-1(3)4;;/h2-7H,1H3;1-2H3;1-2H3;(H5,2,3,4);2*1H4
InChIKeyIXBXUTXOTHFZRC-UHFFFAOYSA-N
XLogP3.91
TPSA97.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;guanidine;methane;1-methylindole;propan-2-one?
The IUPAC name of ethane;guanidine;methane;1-methylindole;propan-2-one (CID 158831393) is ethane;guanidine;methane;1-methylindole;propan-2-one.
What is the SMILES notation for ethane;guanidine;methane;1-methylindole;propan-2-one?
The canonical SMILES for ethane;guanidine;methane;1-methylindole;propan-2-one is C.C.CC.CC(C)=O.Cn1ccc2ccccc21.[H]N=C(N)N.
What is the InChIKey of ethane;guanidine;methane;1-methylindole;propan-2-one?
The InChIKey is IXBXUTXOTHFZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C3H6O.C2H6.CH5N3.2CH4/c1-10-7-6-8-4-2-3-5-9(8)10;1-3(2)4;1-2;2-1(3)4;;/h2-7H,1H3;1-2H3;1-2H3;(H5,2,3,4);2*1H4.
What are the key properties of ethane;guanidine;methane;1-methylindole;propan-2-one?
ethane;guanidine;methane;1-methylindole;propan-2-one has a molecular weight of 310.49 g/mol, XLogP of 3.91, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;guanidine;methane;1-methylindole;propan-2-one is sourced from PubChem (CID 158831393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).