ethane-1,2-diamine;1-methylpyrrolidin-2-one

C7H17N3O — CID 158124150

IUPACethane-1,2-diamine;1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.NCCN
InChIInChI=1S/C5H9NO.C2H8N2/c1-6-4-2-3-5(6)7;3-1-2-4/h2-4H2,1H3;1-4H2
InChIKeyFRYLZXILHPFZRF-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.86
Rot. Bonds1

About ethane-1,2-diamine;1-methylpyrrolidin-2-one

ethane-1,2-diamine;1-methylpyrrolidin-2-one (PubChem CID 158124150) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is ethane-1,2-diamine;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Nameethane-1,2-diamine;1-methylpyrrolidin-2-one
PubChem CID158124150
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Nameethane-1,2-diamine;1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.NCCN
InChIInChI=1S/C5H9NO.C2H8N2/c1-6-4-2-3-5(6)7;3-1-2-4/h2-4H2,1H3;1-4H2
InChIKeyFRYLZXILHPFZRF-UHFFFAOYSA-N
XLogP-0.86
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Aminoethyl)pyrrolidin-2-one
CID 90660
N-(3-(2-Oxo-1-pyrrolidinyl)propyl)acetamide
CID 129397
1-(3-Aminopropyl)-2-pyrrolidinone
CID 82111
2-Oxo-1-pyrrolidinebutyramide
CID 294855
Butyramide, N-(4-(1-pyrrolidinyl)-2-butynyl)-
CID 27252
Acetamide, N-(2-(2-oxo-1-pyrrolidinyl)ethyl)-
CID 49385
2-Pyrrolidinone, 1-(2-aminoethyl)-, monohydrochloride
CID 3022039
2-Pyrrolidinone, 1-(4-aminobutyl)-
CID 3041220
1-Pyrrolidineacetamide, N-(2-(butylamino)-2-oxoethyl)-2-oxo-
CID 3050860
1-(6-Aminohexyl)-2-pyrrolidinone
CID 21199130
1-(2-Aminopropyl)-2-pyrrolidinone
CID 16787003
1-Pyrrolidineacetamide, N-[2-(diethylamino)ethyl]-2-oxo-
CID 2834667

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;1-methylpyrrolidin-2-one?
The IUPAC name of ethane-1,2-diamine;1-methylpyrrolidin-2-one (CID 158124150) is ethane-1,2-diamine;1-methylpyrrolidin-2-one.
What is the SMILES notation for ethane-1,2-diamine;1-methylpyrrolidin-2-one?
The canonical SMILES for ethane-1,2-diamine;1-methylpyrrolidin-2-one is CN1CCCC1=O.NCCN.
What is the InChIKey of ethane-1,2-diamine;1-methylpyrrolidin-2-one?
The InChIKey is FRYLZXILHPFZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C2H8N2/c1-6-4-2-3-5(6)7;3-1-2-4/h2-4H2,1H3;1-4H2.
What are the key properties of ethane-1,2-diamine;1-methylpyrrolidin-2-one?
ethane-1,2-diamine;1-methylpyrrolidin-2-one has a molecular weight of 159.23 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;1-methylpyrrolidin-2-one is sourced from PubChem (CID 158124150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).