1-(3-methylbut-2-en-2-yl)pyrrolidine

C9H17N — CID 15569618

IUPAC1-(3-methylbut-2-en-2-yl)pyrrolidine
SMILESCC(C)=C(C)N1CCCC1
InChIInChI=1S/C9H17N/c1-8(2)9(3)10-6-4-5-7-10/h4-7H2,1-3H3
InChIKeyIEHGMDZILDIINX-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.40
Rot. Bonds1

About 1-(3-methylbut-2-en-2-yl)pyrrolidine

1-(3-methylbut-2-en-2-yl)pyrrolidine (PubChem CID 15569618) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-(3-methylbut-2-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(3-methylbut-2-en-2-yl)pyrrolidine
PubChem CID15569618
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-(3-methylbut-2-en-2-yl)pyrrolidine
SMILESCC(C)=C(C)N1CCCC1
InChIInChI=1S/C9H17N/c1-8(2)9(3)10-6-4-5-7-10/h4-7H2,1-3H3
InChIKeyIEHGMDZILDIINX-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-piperidin-1-ylbut-2-en-2-ylsilane
CID 173421657
ethene;1-pyrrolidin-1-ylethanone
CID 155736333
1-prop-1-en-2-ylpiperidine
CID 12570653
propane;1-pyrrolidin-1-ylethanone
CID 143432619
N-methyl-1-pyrrolidin-1-ylethanimine
CID 18728217
ethane;1-prop-1-en-2-ylpiperidine
CID 142839582
1-(azetidin-1-yl)ethanone
CID 14061673
1-[(E)-4,4,4-trifluorobut-2-en-2-yl]pyrrolidine
CID 129271802
acetaldehyde;1-pyrrolidin-1-ylethanone
CID 144643682
carbon monoxide;1-pyrrolidin-1-ylethylidenechromium
CID 11022565
(Z,4Z)-2-bromo-3-methyl-4-(1-pyrrolidin-1-ylethylidene)pent-2-enedinitrile
CID 154691814
(E)-2-dipyrrolidin-1-ylphosphanyl-3-pyrrolidin-1-ylbut-2-enenitrile
CID 102054217

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-en-2-yl)pyrrolidine?
The IUPAC name of 1-(3-methylbut-2-en-2-yl)pyrrolidine (CID 15569618) is 1-(3-methylbut-2-en-2-yl)pyrrolidine.
What is the SMILES notation for 1-(3-methylbut-2-en-2-yl)pyrrolidine?
The canonical SMILES for 1-(3-methylbut-2-en-2-yl)pyrrolidine is CC(C)=C(C)N1CCCC1.
What is the InChIKey of 1-(3-methylbut-2-en-2-yl)pyrrolidine?
The InChIKey is IEHGMDZILDIINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)9(3)10-6-4-5-7-10/h4-7H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-en-2-yl)pyrrolidine?
1-(3-methylbut-2-en-2-yl)pyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-en-2-yl)pyrrolidine is sourced from PubChem (CID 15569618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).