3-propan-2-yl-1-prop-1-en-2-ylpyrrolidine

C10H19N — CID 89113814

IUPAC3-propan-2-yl-1-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)N1CCC(C(C)C)C1
InChIInChI=1S/C10H19N/c1-8(2)10-5-6-11(7-10)9(3)4/h8,10H,3,5-7H2,1-2,4H3
InChIKeyHZTRVFHWQVVSIN-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.50
Rot. Bonds2

About 3-propan-2-yl-1-prop-1-en-2-ylpyrrolidine

3-propan-2-yl-1-prop-1-en-2-ylpyrrolidine (PubChem CID 89113814) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-propan-2-yl-1-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name3-propan-2-yl-1-prop-1-en-2-ylpyrrolidine
PubChem CID89113814
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-propan-2-yl-1-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)N1CCC(C(C)C)C1
InChIInChI=1S/C10H19N/c1-8(2)10-5-6-11(7-10)9(3)4/h8,10H,3,5-7H2,1-2,4H3
InChIKeyHZTRVFHWQVVSIN-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-prop-1-en-2-ylpyrrolidine?
The IUPAC name of 3-propan-2-yl-1-prop-1-en-2-ylpyrrolidine (CID 89113814) is 3-propan-2-yl-1-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for 3-propan-2-yl-1-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for 3-propan-2-yl-1-prop-1-en-2-ylpyrrolidine is C=C(C)N1CCC(C(C)C)C1.
What is the InChIKey of 3-propan-2-yl-1-prop-1-en-2-ylpyrrolidine?
The InChIKey is HZTRVFHWQVVSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)10-5-6-11(7-10)9(3)4/h8,10H,3,5-7H2,1-2,4H3.
What are the key properties of 3-propan-2-yl-1-prop-1-en-2-ylpyrrolidine?
3-propan-2-yl-1-prop-1-en-2-ylpyrrolidine has a molecular weight of 153.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 89113814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).