1-[(E)-hept-3-en-4-yl]pyrrolidine

C11H21N — CID 11789592

IUPAC1-[(E)-hept-3-en-4-yl]pyrrolidine
SMILESCC/C=C(\CCC)N1CCCC1
InChIInChI=1S/C11H21N/c1-3-7-11(8-4-2)12-9-5-6-10-12/h7H,3-6,8-10H2,1-2H3/b11-7+
InChIKeyFCLJDKUBFUKOAM-YRNVUSSQSA-N
MW167.30 g/mol
LogP3.18
Rot. Bonds4

About 1-[(E)-hept-3-en-4-yl]pyrrolidine

1-[(E)-hept-3-en-4-yl]pyrrolidine (PubChem CID 11789592) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-[(E)-hept-3-en-4-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-hept-3-en-4-yl]pyrrolidine
PubChem CID11789592
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-[(E)-hept-3-en-4-yl]pyrrolidine
SMILESCC/C=C(\CCC)N1CCCC1
InChIInChI=1S/C11H21N/c1-3-7-11(8-4-2)12-9-5-6-10-12/h7H,3-6,8-10H2,1-2H3/b11-7+
InChIKeyFCLJDKUBFUKOAM-YRNVUSSQSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.18
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 1-[(E)-hept-3-en-4-yl]pyrrolidine?
The IUPAC name of 1-[(E)-hept-3-en-4-yl]pyrrolidine (CID 11789592) is 1-[(E)-hept-3-en-4-yl]pyrrolidine.
What is the SMILES notation for 1-[(E)-hept-3-en-4-yl]pyrrolidine?
The canonical SMILES for 1-[(E)-hept-3-en-4-yl]pyrrolidine is CC/C=C(\CCC)N1CCCC1.
What is the InChIKey of 1-[(E)-hept-3-en-4-yl]pyrrolidine?
The InChIKey is FCLJDKUBFUKOAM-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H21N/c1-3-7-11(8-4-2)12-9-5-6-10-12/h7H,3-6,8-10H2,1-2H3/b11-7+.
What are the key properties of 1-[(E)-hept-3-en-4-yl]pyrrolidine?
1-[(E)-hept-3-en-4-yl]pyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hept-3-en-4-yl]pyrrolidine is sourced from PubChem (CID 11789592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).