3-heptyl-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole

C14H25N — CID 129215632

IUPAC3-heptyl-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
SMILESC=C(C)C1=NCC(CCCCCCC)C1
InChIInChI=1S/C14H25N/c1-4-5-6-7-8-9-13-10-14(12(2)3)15-11-13/h13H,2,4-11H2,1,3H3
InChIKeySUYOXOKWEXIWGG-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.38
Rot. Bonds7

About 3-heptyl-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole

3-heptyl-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole (PubChem CID 129215632) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3-heptyl-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name3-heptyl-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
PubChem CID129215632
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3-heptyl-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
SMILESC=C(C)C1=NCC(CCCCCCC)C1
InChIInChI=1S/C14H25N/c1-4-5-6-7-8-9-13-10-14(12(2)3)15-11-13/h13H,2,4-11H2,1,3H3
InChIKeySUYOXOKWEXIWGG-UHFFFAOYSA-N
XLogP4.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-heptyl-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 3-heptyl-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole (CID 129215632) is 3-heptyl-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 3-heptyl-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 3-heptyl-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole is C=C(C)C1=NCC(CCCCCCC)C1.
What is the InChIKey of 3-heptyl-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole?
The InChIKey is SUYOXOKWEXIWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-4-5-6-7-8-9-13-10-14(12(2)3)15-11-13/h13H,2,4-11H2,1,3H3.
What are the key properties of 3-heptyl-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole?
3-heptyl-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole has a molecular weight of 207.36 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptyl-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 129215632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).