acetaldehyde;cyanic acid;2-methylpropane

C7H15NO2 — CID 142596077

IUPACacetaldehyde;cyanic acid;2-methylpropane
SMILESCC(C)C.CC=O.N#CO
InChIInChI=1S/C4H10.C2H4O.CHNO/c1-4(2)3;1-2-3;2-1-3/h4H,1-3H3;2H,1H3;3H
InChIKeySRSWIVYZSGNUMY-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.71
Rot. Bonds

About acetaldehyde;cyanic acid;2-methylpropane

acetaldehyde;cyanic acid;2-methylpropane (PubChem CID 142596077) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is acetaldehyde;cyanic acid;2-methylpropane.

Molecular Properties

Compound Nameacetaldehyde;cyanic acid;2-methylpropane
PubChem CID142596077
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameacetaldehyde;cyanic acid;2-methylpropane
SMILESCC(C)C.CC=O.N#CO
InChIInChI=1S/C4H10.C2H4O.CHNO/c1-4(2)3;1-2-3;2-1-3/h4H,1-3H3;2H,1H3;3H
InChIKeySRSWIVYZSGNUMY-UHFFFAOYSA-N
XLogP1.71
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze acetaldehyde;cyanic acid;2-methylpropane 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

acetaldehyde;formaldehyde;2-methylpropane
CID 157456500
acetaldehyde;acetonitrile
CID 86033370
acetaldehyde;cyanoboronic acid
CID 87638101
acetaldehyde;butan-2-ol;2-methylpropane
CID 174321366
acetaldehyde;methanol
CID 19366238
cyanic acid
CID 540
acetaldehyde
CID 158130567
cyanic acid;propan-2-one
CID 141158454
acetonitrile;2-methylpropanal
CID 174939859
N-[1-(azanylidyne(113C)methyl)ethyl]formamide
CID 11007825
CID 158103983
CID 158103983
octadecakis(acetonitrile);formic acid
CID 173132869

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;cyanic acid;2-methylpropane?
The IUPAC name of acetaldehyde;cyanic acid;2-methylpropane (CID 142596077) is acetaldehyde;cyanic acid;2-methylpropane.
What is the SMILES notation for acetaldehyde;cyanic acid;2-methylpropane?
The canonical SMILES for acetaldehyde;cyanic acid;2-methylpropane is CC(C)C.CC=O.N#CO.
What is the InChIKey of acetaldehyde;cyanic acid;2-methylpropane?
The InChIKey is SRSWIVYZSGNUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C2H4O.CHNO/c1-4(2)3;1-2-3;2-1-3/h4H,1-3H3;2H,1H3;3H.
What are the key properties of acetaldehyde;cyanic acid;2-methylpropane?
acetaldehyde;cyanic acid;2-methylpropane has a molecular weight of 145.20 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;cyanic acid;2-methylpropane is sourced from PubChem (CID 142596077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).