3-(5-methyl-2-propylhex-5-enyl)-3H-pyrrole

C14H23N — CID 89363193

IUPAC3-(5-methyl-2-propylhex-5-enyl)-3H-pyrrole
SMILESC=C(C)CCC(CCC)CC1C=CN=C1
InChIInChI=1S/C14H23N/c1-4-5-13(7-6-12(2)3)10-14-8-9-15-11-14/h8-9,11,13-14H,2,4-7,10H2,1,3H3
InChIKeyWILTTYUTIGZXFO-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.36
Rot. Bonds7

About 3-(5-methyl-2-propylhex-5-enyl)-3H-pyrrole

3-(5-methyl-2-propylhex-5-enyl)-3H-pyrrole (PubChem CID 89363193) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 3-(5-methyl-2-propylhex-5-enyl)-3H-pyrrole.

Molecular Properties

Compound Name3-(5-methyl-2-propylhex-5-enyl)-3H-pyrrole
PubChem CID89363193
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name3-(5-methyl-2-propylhex-5-enyl)-3H-pyrrole
SMILESC=C(C)CCC(CCC)CC1C=CN=C1
InChIInChI=1S/C14H23N/c1-4-5-13(7-6-12(2)3)10-14-8-9-15-11-14/h8-9,11,13-14H,2,4-7,10H2,1,3H3
InChIKeyWILTTYUTIGZXFO-UHFFFAOYSA-N
XLogP4.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-propylhex-5-enyl)-3H-pyrrole?
The IUPAC name of 3-(5-methyl-2-propylhex-5-enyl)-3H-pyrrole (CID 89363193) is 3-(5-methyl-2-propylhex-5-enyl)-3H-pyrrole.
What is the SMILES notation for 3-(5-methyl-2-propylhex-5-enyl)-3H-pyrrole?
The canonical SMILES for 3-(5-methyl-2-propylhex-5-enyl)-3H-pyrrole is C=C(C)CCC(CCC)CC1C=CN=C1.
What is the InChIKey of 3-(5-methyl-2-propylhex-5-enyl)-3H-pyrrole?
The InChIKey is WILTTYUTIGZXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-5-13(7-6-12(2)3)10-14-8-9-15-11-14/h8-9,11,13-14H,2,4-7,10H2,1,3H3.
What are the key properties of 3-(5-methyl-2-propylhex-5-enyl)-3H-pyrrole?
3-(5-methyl-2-propylhex-5-enyl)-3H-pyrrole has a molecular weight of 205.34 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-propylhex-5-enyl)-3H-pyrrole is sourced from PubChem (CID 89363193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).