3-(1-pyrrolidin-1-ylethenyl)heptanamide

C13H24N2O — CID 142070816

IUPAC3-(1-pyrrolidin-1-ylethenyl)heptanamide
SMILESC=C(C(CCCC)CC(N)=O)N1CCCC1
InChIInChI=1S/C13H24N2O/c1-3-4-7-12(10-13(14)16)11(2)15-8-5-6-9-15/h12H,2-10H2,1H3,(H2,14,16)
InChIKeyPHDQVWFXMAKUGQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.28
Rot. Bonds7

About 3-(1-pyrrolidin-1-ylethenyl)heptanamide

3-(1-pyrrolidin-1-ylethenyl)heptanamide (PubChem CID 142070816) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-(1-pyrrolidin-1-ylethenyl)heptanamide.

Molecular Properties

Compound Name3-(1-pyrrolidin-1-ylethenyl)heptanamide
PubChem CID142070816
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-(1-pyrrolidin-1-ylethenyl)heptanamide
SMILESC=C(C(CCCC)CC(N)=O)N1CCCC1
InChIInChI=1S/C13H24N2O/c1-3-4-7-12(10-13(14)16)11(2)15-8-5-6-9-15/h12H,2-10H2,1H3,(H2,14,16)
InChIKeyPHDQVWFXMAKUGQ-UHFFFAOYSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-pyrrolidin-1-ylethenyl)heptanamide?
The IUPAC name of 3-(1-pyrrolidin-1-ylethenyl)heptanamide (CID 142070816) is 3-(1-pyrrolidin-1-ylethenyl)heptanamide.
What is the SMILES notation for 3-(1-pyrrolidin-1-ylethenyl)heptanamide?
The canonical SMILES for 3-(1-pyrrolidin-1-ylethenyl)heptanamide is C=C(C(CCCC)CC(N)=O)N1CCCC1.
What is the InChIKey of 3-(1-pyrrolidin-1-ylethenyl)heptanamide?
The InChIKey is PHDQVWFXMAKUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-4-7-12(10-13(14)16)11(2)15-8-5-6-9-15/h12H,2-10H2,1H3,(H2,14,16).
What are the key properties of 3-(1-pyrrolidin-1-ylethenyl)heptanamide?
3-(1-pyrrolidin-1-ylethenyl)heptanamide has a molecular weight of 224.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyrrolidin-1-ylethenyl)heptanamide is sourced from PubChem (CID 142070816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).