2-aminoacetaldehyde;5-methylidene-1-propan-2-ylpyrrol-2-one;2-methylpentane

C16H30N2O2 — CID 162444116

IUPAC2-aminoacetaldehyde;5-methylidene-1-propan-2-ylpyrrol-2-one;2-methylpentane
SMILESC=C1C=CC(=O)N1C(C)C.CCCC(C)C.NCC=O
InChIInChI=1S/C8H11NO.C6H14.C2H5NO/c1-6(2)9-7(3)4-5-8(9)10;1-4-5-6(2)3;3-1-2-4/h4-6H,3H2,1-2H3;6H,4-5H2,1-3H3;2H,1,3H2
InChIKeyADPCMROMJLHUAD-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.89
Rot. Bonds4

About 2-aminoacetaldehyde;5-methylidene-1-propan-2-ylpyrrol-2-one;2-methylpentane

2-aminoacetaldehyde;5-methylidene-1-propan-2-ylpyrrol-2-one;2-methylpentane (PubChem CID 162444116) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-aminoacetaldehyde;5-methylidene-1-propan-2-ylpyrrol-2-one;2-methylpentane.

Molecular Properties

Compound Name2-aminoacetaldehyde;5-methylidene-1-propan-2-ylpyrrol-2-one;2-methylpentane
PubChem CID162444116
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-aminoacetaldehyde;5-methylidene-1-propan-2-ylpyrrol-2-one;2-methylpentane
SMILESC=C1C=CC(=O)N1C(C)C.CCCC(C)C.NCC=O
InChIInChI=1S/C8H11NO.C6H14.C2H5NO/c1-6(2)9-7(3)4-5-8(9)10;1-4-5-6(2)3;3-1-2-4/h4-6H,3H2,1-2H3;6H,4-5H2,1-3H3;2H,1,3H2
InChIKeyADPCMROMJLHUAD-UHFFFAOYSA-N
XLogP2.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetaldehyde;5-methylidene-1-propan-2-ylpyrrol-2-one;2-methylpentane?
The IUPAC name of 2-aminoacetaldehyde;5-methylidene-1-propan-2-ylpyrrol-2-one;2-methylpentane (CID 162444116) is 2-aminoacetaldehyde;5-methylidene-1-propan-2-ylpyrrol-2-one;2-methylpentane.
What is the SMILES notation for 2-aminoacetaldehyde;5-methylidene-1-propan-2-ylpyrrol-2-one;2-methylpentane?
The canonical SMILES for 2-aminoacetaldehyde;5-methylidene-1-propan-2-ylpyrrol-2-one;2-methylpentane is C=C1C=CC(=O)N1C(C)C.CCCC(C)C.NCC=O.
What is the InChIKey of 2-aminoacetaldehyde;5-methylidene-1-propan-2-ylpyrrol-2-one;2-methylpentane?
The InChIKey is ADPCMROMJLHUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C6H14.C2H5NO/c1-6(2)9-7(3)4-5-8(9)10;1-4-5-6(2)3;3-1-2-4/h4-6H,3H2,1-2H3;6H,4-5H2,1-3H3;2H,1,3H2.
What are the key properties of 2-aminoacetaldehyde;5-methylidene-1-propan-2-ylpyrrol-2-one;2-methylpentane?
2-aminoacetaldehyde;5-methylidene-1-propan-2-ylpyrrol-2-one;2-methylpentane has a molecular weight of 282.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetaldehyde;5-methylidene-1-propan-2-ylpyrrol-2-one;2-methylpentane is sourced from PubChem (CID 162444116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).