formamide;3-methylpyrrolidine

C6H14N2O — CID 143474557

IUPACformamide;3-methylpyrrolidine
SMILESCC1CCNC1.NC=O
InChIInChI=1S/C5H11N.CH3NO/c1-5-2-3-6-4-5;2-1-3/h5-6H,2-4H2,1H3;1H,(H2,2,3)
InChIKeyKYNUGOQKWORGMX-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.28
Rot. Bonds

About formamide;3-methylpyrrolidine

formamide;3-methylpyrrolidine (PubChem CID 143474557) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is formamide;3-methylpyrrolidine.

Molecular Properties

Compound Nameformamide;3-methylpyrrolidine
PubChem CID143474557
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Nameformamide;3-methylpyrrolidine
SMILESCC1CCNC1.NC=O
InChIInChI=1S/C5H11N.CH3NO/c1-5-2-3-6-4-5;2-1-3/h5-6H,2-4H2,1H3;1H,(H2,2,3)
InChIKeyKYNUGOQKWORGMX-UHFFFAOYSA-N
XLogP-0.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methanethiol;3-methylpyrrolidine;dihydrate
CID 169181440
3-methylpyrrolidine;phosphinous acid
CID 142914115
ethane;methanol;3-methylpyrrolidine
CID 143573656
methanamine;3-methylpiperidine
CID 178081150
ethane;(3S)-3-methylpiperidine
CID 144634573
3-methylazepane
CID 14291801
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane
CID 143297123
ethane;2-methoxy-2-methylpropane;3-methylpyrrolidine;hydrate
CID 145463326
4-methylpiperidine;nitroxyl
CID 174726440
ethane;3-methylpiperidine;hydrate
CID 142361877
3-methylpyrrolidine;2,2,2-trifluoro-N-methylacetamide
CID 144537745
1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine
CID 143539499

Frequently Asked Questions

What is the IUPAC name of formamide;3-methylpyrrolidine?
The IUPAC name of formamide;3-methylpyrrolidine (CID 143474557) is formamide;3-methylpyrrolidine.
What is the SMILES notation for formamide;3-methylpyrrolidine?
The canonical SMILES for formamide;3-methylpyrrolidine is CC1CCNC1.NC=O.
What is the InChIKey of formamide;3-methylpyrrolidine?
The InChIKey is KYNUGOQKWORGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.CH3NO/c1-5-2-3-6-4-5;2-1-3/h5-6H,2-4H2,1H3;1H,(H2,2,3).
What are the key properties of formamide;3-methylpyrrolidine?
formamide;3-methylpyrrolidine has a molecular weight of 130.19 g/mol, XLogP of -0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;3-methylpyrrolidine is sourced from PubChem (CID 143474557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).