(2E)-2-butylidene-1-methylpyrrolidine

C9H17N — CID 13333735

IUPAC(2E)-2-butylidene-1-methylpyrrolidine
SMILESCCC/C=C1\CCCN1C
InChIInChI=1S/C9H17N/c1-3-4-6-9-7-5-8-10(9)2/h6H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyKQCOZVZGOQJIHV-RMKNXTFCSA-N
MW139.24 g/mol
LogP2.40
Rot. Bonds2

About (2E)-2-butylidene-1-methylpyrrolidine

(2E)-2-butylidene-1-methylpyrrolidine (PubChem CID 13333735) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2E)-2-butylidene-1-methylpyrrolidine.

Molecular Properties

Compound Name(2E)-2-butylidene-1-methylpyrrolidine
PubChem CID13333735
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2E)-2-butylidene-1-methylpyrrolidine
SMILESCCC/C=C1\CCCN1C
InChIInChI=1S/C9H17N/c1-3-4-6-9-7-5-8-10(9)2/h6H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyKQCOZVZGOQJIHV-RMKNXTFCSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrrolidine, 1-(1-cyclopenten-1-yl)-
CID 81570
1-Pyrrolidino-1-cyclohexene
CID 70768
2-Pyrroline, 1,2-dimethyl-
CID 565081
(E)-1-Pyrrolidino-2-pentene
CID 5462837
N,N-Diethylcyclopent-1-en-1-amine
CID 14610479
1-(2-Methyl-1-pyrrolidinyl)cyclohexene
CID 4674520
1-Ethyl-2-methyl-2-pyrrolin
CID 12411602
Pyridine, 1,4,5,6-tetrahydro-1,2-dimethyl-
CID 13679998
2-Pyrroline, 2-n-butyl-1-methyl-
CID 18179222
Pyridine, 1-ethyl-1,2,3,4-tetrahydro-6-methyl-
CID 45087233
1-(1-Pyrrolidinyl)-1-cycloheptene
CID 586037
1-(1-Ethylpropenyl)pyrrolidine
CID 139574

Frequently Asked Questions

What is the IUPAC name of (2E)-2-butylidene-1-methylpyrrolidine?
The IUPAC name of (2E)-2-butylidene-1-methylpyrrolidine (CID 13333735) is (2E)-2-butylidene-1-methylpyrrolidine.
What is the SMILES notation for (2E)-2-butylidene-1-methylpyrrolidine?
The canonical SMILES for (2E)-2-butylidene-1-methylpyrrolidine is CCC/C=C1\CCCN1C.
What is the InChIKey of (2E)-2-butylidene-1-methylpyrrolidine?
The InChIKey is KQCOZVZGOQJIHV-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H17N/c1-3-4-6-9-7-5-8-10(9)2/h6H,3-5,7-8H2,1-2H3/b9-6+.
What are the key properties of (2E)-2-butylidene-1-methylpyrrolidine?
(2E)-2-butylidene-1-methylpyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-butylidene-1-methylpyrrolidine is sourced from PubChem (CID 13333735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).