(2S)-2-ethenyl-1-methylpyrrolidine;propane

C10H21N — CID 172577719

IUPAC(2S)-2-ethenyl-1-methylpyrrolidine;propane
SMILESC=C[C@@H]1CCCN1C.CCC
InChIInChI=1S/C7H13N.C3H8/c1-3-7-5-4-6-8(7)2;1-3-2/h3,7H,1,4-6H2,2H3;3H2,1-2H3/t7-;/m1./s1
InChIKeySDGHMWUKNPDPFH-OGFXRTJISA-N
MW155.28 g/mol
LogP2.68
Rot. Bonds1

About (2S)-2-ethenyl-1-methylpyrrolidine;propane

(2S)-2-ethenyl-1-methylpyrrolidine;propane (PubChem CID 172577719) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (2S)-2-ethenyl-1-methylpyrrolidine;propane.

Molecular Properties

Compound Name(2S)-2-ethenyl-1-methylpyrrolidine;propane
PubChem CID172577719
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(2S)-2-ethenyl-1-methylpyrrolidine;propane
SMILESC=C[C@@H]1CCCN1C.CCC
InChIInChI=1S/C7H13N.C3H8/c1-3-7-5-4-6-8(7)2;1-3-2/h3,7H,1,4-6H2,2H3;3H2,1-2H3/t7-;/m1./s1
InChIKeySDGHMWUKNPDPFH-OGFXRTJISA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2-ethenylpyrrolidine
CID 11332575
1-dodecyl-2-ethenylpyrrolidine
CID 5143353
(Z)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine
CID 117265759
2-ethenyl-1-propylpiperidine
CID 13181247
(NZ)-N-[(1-methylpyrrolidin-2-yl)methylidene]hydroxylamine
CID 91392408
2-[(E)-3,3-dimethylhex-1-enyl]-1-methylpyrrolidine
CID 146324329
(2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine
CID 155396519
ethane;(2S)-2-ethenyl-1-(3-ethoxypropyl)pyrrolidine
CID 156885523
3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide
CID 156885488
(2R)-2-[(E)-2-methoxyethenyl]-1-methylpyrrolidine
CID 126669652
1-methyl-2-propa-1,2-dienylpiperidine
CID 134716119
3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide;molecular hydrogen
CID 156885487

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethenyl-1-methylpyrrolidine;propane?
The IUPAC name of (2S)-2-ethenyl-1-methylpyrrolidine;propane (CID 172577719) is (2S)-2-ethenyl-1-methylpyrrolidine;propane.
What is the SMILES notation for (2S)-2-ethenyl-1-methylpyrrolidine;propane?
The canonical SMILES for (2S)-2-ethenyl-1-methylpyrrolidine;propane is C=C[C@@H]1CCCN1C.CCC.
What is the InChIKey of (2S)-2-ethenyl-1-methylpyrrolidine;propane?
The InChIKey is SDGHMWUKNPDPFH-OGFXRTJISA-N. The full InChI is InChI=1S/C7H13N.C3H8/c1-3-7-5-4-6-8(7)2;1-3-2/h3,7H,1,4-6H2,2H3;3H2,1-2H3/t7-;/m1./s1.
What are the key properties of (2S)-2-ethenyl-1-methylpyrrolidine;propane?
(2S)-2-ethenyl-1-methylpyrrolidine;propane has a molecular weight of 155.28 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethenyl-1-methylpyrrolidine;propane is sourced from PubChem (CID 172577719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).