1-but-1-en-2-ylpyrrolidine

C8H15N — CID 12571418

IUPAC1-but-1-en-2-ylpyrrolidine
SMILESC=C(CC)N1CCCC1
InChIInChI=1S/C8H15N/c1-3-8(2)9-6-4-5-7-9/h2-7H2,1H3
InChIKeyKNFQMXZDUYOOPD-UHFFFAOYSA-N
MW125.22 g/mol
LogP2.01
Rot. Bonds2

About 1-but-1-en-2-ylpyrrolidine

1-but-1-en-2-ylpyrrolidine (PubChem CID 12571418) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 1-but-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name1-but-1-en-2-ylpyrrolidine
PubChem CID12571418
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name1-but-1-en-2-ylpyrrolidine
SMILESC=C(CC)N1CCCC1
InChIInChI=1S/C8H15N/c1-3-8(2)9-6-4-5-7-9/h2-7H2,1H3
InChIKeyKNFQMXZDUYOOPD-UHFFFAOYSA-N
XLogP2.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrrolidine, 1-(1-butenyl)-
CID 5357122
(E)-1-Pyrrolidino-2-pentene
CID 5462837
Pyrrolidine, 2-methylene-1-(2-propenyl)-(9CI)
CID 21677163
1-(1-Ethylpropenyl)pyrrolidine
CID 139574
1-But-1-enylpyrrolidine
CID 139649
Pyrrolidine, 1-(2-methyl-1-methylenepropyl)-
CID 10964593
(e)-4-Pyrrolidino-3-heptene
CID 11789592
1-(Prop-1-en-2-yl)pyrrolidine
CID 12570652
1-[(E)-but-2-en-2-yl]pyrrolidine
CID 12571419
1-(3,3-Dimethylbut-1-en-2-yl)pyrrolidine
CID 15569629
1-(4-Methylpent-1-en-2-yl)pyrrolidine
CID 16736184
1-(But-2-en-2-yl)pyrrolidine
CID 68009843

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-ylpyrrolidine?
The IUPAC name of 1-but-1-en-2-ylpyrrolidine (CID 12571418) is 1-but-1-en-2-ylpyrrolidine.
What is the SMILES notation for 1-but-1-en-2-ylpyrrolidine?
The canonical SMILES for 1-but-1-en-2-ylpyrrolidine is C=C(CC)N1CCCC1.
What is the InChIKey of 1-but-1-en-2-ylpyrrolidine?
The InChIKey is KNFQMXZDUYOOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-8(2)9-6-4-5-7-9/h2-7H2,1H3.
What are the key properties of 1-but-1-en-2-ylpyrrolidine?
1-but-1-en-2-ylpyrrolidine has a molecular weight of 125.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-ylpyrrolidine is sourced from PubChem (CID 12571418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).