1-[(E)-3-methylbut-1-enyl]pyrrolidine

C9H17N — CID 10866408

IUPAC1-[(E)-3-methylbut-1-enyl]pyrrolidine
SMILESCC(C)/C=C/N1CCCC1
InChIInChI=1S/C9H17N/c1-9(2)5-8-10-6-3-4-7-10/h5,8-9H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyBVLGEIBZZYTZKC-VMPITWQZSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds2

About 1-[(E)-3-methylbut-1-enyl]pyrrolidine

1-[(E)-3-methylbut-1-enyl]pyrrolidine (PubChem CID 10866408) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-[(E)-3-methylbut-1-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-3-methylbut-1-enyl]pyrrolidine
PubChem CID10866408
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-[(E)-3-methylbut-1-enyl]pyrrolidine
SMILESCC(C)/C=C/N1CCCC1
InChIInChI=1S/C9H17N/c1-9(2)5-8-10-6-3-4-7-10/h5,8-9H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyBVLGEIBZZYTZKC-VMPITWQZSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-methylbut-1-enyl]pyrrolidine?
The IUPAC name of 1-[(E)-3-methylbut-1-enyl]pyrrolidine (CID 10866408) is 1-[(E)-3-methylbut-1-enyl]pyrrolidine.
What is the SMILES notation for 1-[(E)-3-methylbut-1-enyl]pyrrolidine?
The canonical SMILES for 1-[(E)-3-methylbut-1-enyl]pyrrolidine is CC(C)/C=C/N1CCCC1.
What is the InChIKey of 1-[(E)-3-methylbut-1-enyl]pyrrolidine?
The InChIKey is BVLGEIBZZYTZKC-VMPITWQZSA-N. The full InChI is InChI=1S/C9H17N/c1-9(2)5-8-10-6-3-4-7-10/h5,8-9H,3-4,6-7H2,1-2H3/b8-5+.
What are the key properties of 1-[(E)-3-methylbut-1-enyl]pyrrolidine?
1-[(E)-3-methylbut-1-enyl]pyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-methylbut-1-enyl]pyrrolidine is sourced from PubChem (CID 10866408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).