ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;propane

C13H30N2O3 — CID 144680009

IUPACethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;propane
SMILESCC.CCC.CNCC(=O)N1CCCC1.O=CO
InChIInChI=1S/C7H14N2O.C3H8.C2H6.CH2O2/c1-8-6-7(10)9-4-2-3-5-9;1-3-2;1-2;2-1-3/h8H,2-6H2,1H3;3H2,1-2H3;1-2H3;1H,(H,2,3)
InChIKeyDXZCOCUPDFJTLT-UHFFFAOYSA-N
MW262.39 g/mol
LogP1.97
Rot. Bonds2

About ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;propane

ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;propane (PubChem CID 144680009) has the molecular formula C13H30N2O3 and a molecular weight of 262.39 g/mol. Its IUPAC name is ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;propane.

Molecular Properties

Compound Nameethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;propane
PubChem CID144680009
Molecular FormulaC13H30N2O3
Molecular Weight262.39 g/mol
Exact Mass262.23
IUPAC Nameethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;propane
SMILESCC.CCC.CNCC(=O)N1CCCC1.O=CO
InChIInChI=1S/C7H14N2O.C3H8.C2H6.CH2O2/c1-8-6-7(10)9-4-2-3-5-9;1-3-2;1-2;2-1-3/h8H,2-6H2,1H3;3H2,1-2H3;1-2H3;1H,(H,2,3)
InChIKeyDXZCOCUPDFJTLT-UHFFFAOYSA-N
XLogP1.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;methane;2-(methylamino)-1-pyrrolidin-1-ylethanone;methyl formate;propane
CID 145420616
formic acid;1-pyrrolidin-1-ylpropan-1-one
CID 142278991
1-(4-ethylpiperazin-1-yl)-2-(methylamino)ethanone
CID 24706244
N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide
CID 89247006
ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;5-methyl-1H-imidazole;oxane
CID 144965639
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
CID 54773405
acetonitrile;(Z)-N-butoxyethanimine;cyclopentane;ethane;2-(methylamino)-1-pyrrolidin-1-ylethanone
CID 143531866
1-(6-azaspiro[2.5]octan-6-yl)-2-(methylamino)ethanone
CID 131089762
1-[2-(methylamino)acetyl]piperidin-4-one
CID 110479082
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275

Frequently Asked Questions

What is the IUPAC name of ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;propane?
The IUPAC name of ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;propane (CID 144680009) is ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;propane.
What is the SMILES notation for ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;propane?
The canonical SMILES for ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;propane is CC.CCC.CNCC(=O)N1CCCC1.O=CO.
What is the InChIKey of ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;propane?
The InChIKey is DXZCOCUPDFJTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C3H8.C2H6.CH2O2/c1-8-6-7(10)9-4-2-3-5-9;1-3-2;1-2;2-1-3/h8H,2-6H2,1H3;3H2,1-2H3;1-2H3;1H,(H,2,3).
What are the key properties of ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;propane?
ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;propane has a molecular weight of 262.39 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;propane is sourced from PubChem (CID 144680009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).