(2R)-1-but-1-en-2-yl-2-methylpyrrolidine

C9H17N — CID 134863512

IUPAC(2R)-1-but-1-en-2-yl-2-methylpyrrolidine
SMILESC=C(CC)N1CCC[C@H]1C
InChIInChI=1S/C9H17N/c1-4-8(2)10-7-5-6-9(10)3/h9H,2,4-7H2,1,3H3/t9-/m1/s1
InChIKeyCJOHYBBVHVLJDD-SECBINFHSA-N
MW139.24 g/mol
LogP2.39
Rot. Bonds2

About (2R)-1-but-1-en-2-yl-2-methylpyrrolidine

(2R)-1-but-1-en-2-yl-2-methylpyrrolidine (PubChem CID 134863512) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2R)-1-but-1-en-2-yl-2-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-1-but-1-en-2-yl-2-methylpyrrolidine
PubChem CID134863512
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2R)-1-but-1-en-2-yl-2-methylpyrrolidine
SMILESC=C(CC)N1CCC[C@H]1C
InChIInChI=1S/C9H17N/c1-4-8(2)10-7-5-6-9(10)3/h9H,2,4-7H2,1,3H3/t9-/m1/s1
InChIKeyCJOHYBBVHVLJDD-SECBINFHSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 89291831
1-but-1-en-2-yl-2-ethyl-3-methylpyrrolidine;ethane
CID 177054111
2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 110728155
CID 157325729
CID 157325729
2-methyl-1-prop-1-en-2-ylazetidine
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(2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide
CID 142558346
2-methylpyrrolidine-1-carboximidamide
CID 60974504
1-tert-butyl-3-[1-(2-methylpyrrolidin-1-yl)ethenyl]pyrrolidine
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2-methyl-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]pyrrolidine
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ethyl 2-(2-methylpyrrolidin-1-yl)-2-oxoacetate
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2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863

Frequently Asked Questions

What is the IUPAC name of (2R)-1-but-1-en-2-yl-2-methylpyrrolidine?
The IUPAC name of (2R)-1-but-1-en-2-yl-2-methylpyrrolidine (CID 134863512) is (2R)-1-but-1-en-2-yl-2-methylpyrrolidine.
What is the SMILES notation for (2R)-1-but-1-en-2-yl-2-methylpyrrolidine?
The canonical SMILES for (2R)-1-but-1-en-2-yl-2-methylpyrrolidine is C=C(CC)N1CCC[C@H]1C.
What is the InChIKey of (2R)-1-but-1-en-2-yl-2-methylpyrrolidine?
The InChIKey is CJOHYBBVHVLJDD-SECBINFHSA-N. The full InChI is InChI=1S/C9H17N/c1-4-8(2)10-7-5-6-9(10)3/h9H,2,4-7H2,1,3H3/t9-/m1/s1.
What are the key properties of (2R)-1-but-1-en-2-yl-2-methylpyrrolidine?
(2R)-1-but-1-en-2-yl-2-methylpyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-but-1-en-2-yl-2-methylpyrrolidine is sourced from PubChem (CID 134863512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).