(3S,5Z)-5-butan-2-ylidenepyrrolidin-3-amine

C8H16N2 — CID 126757237

IUPAC(3S,5Z)-5-butan-2-ylidenepyrrolidin-3-amine
SMILESCC/C(C)=C1/C[C@H](N)CN1
InChIInChI=1S/C8H16N2/c1-3-6(2)8-4-7(9)5-10-8/h7,10H,3-5,9H2,1-2H3/b8-6-/t7-/m0/s1
InChIKeyPDGUVFOZVNWINV-VQKCLUMFSA-N
MW140.23 g/mol
LogP0.99
Rot. Bonds1

About (3S,5Z)-5-butan-2-ylidenepyrrolidin-3-amine

(3S,5Z)-5-butan-2-ylidenepyrrolidin-3-amine (PubChem CID 126757237) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (3S,5Z)-5-butan-2-ylidenepyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,5Z)-5-butan-2-ylidenepyrrolidin-3-amine
PubChem CID126757237
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(3S,5Z)-5-butan-2-ylidenepyrrolidin-3-amine
SMILESCC/C(C)=C1/C[C@H](N)CN1
InChIInChI=1S/C8H16N2/c1-3-6(2)8-4-7(9)5-10-8/h7,10H,3-5,9H2,1-2H3/b8-6-/t7-/m0/s1
InChIKeyPDGUVFOZVNWINV-VQKCLUMFSA-N
XLogP0.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5Z)-5-butan-2-ylidenepyrrolidin-3-amine?
The IUPAC name of (3S,5Z)-5-butan-2-ylidenepyrrolidin-3-amine (CID 126757237) is (3S,5Z)-5-butan-2-ylidenepyrrolidin-3-amine.
What is the SMILES notation for (3S,5Z)-5-butan-2-ylidenepyrrolidin-3-amine?
The canonical SMILES for (3S,5Z)-5-butan-2-ylidenepyrrolidin-3-amine is CC/C(C)=C1/C[C@H](N)CN1.
What is the InChIKey of (3S,5Z)-5-butan-2-ylidenepyrrolidin-3-amine?
The InChIKey is PDGUVFOZVNWINV-VQKCLUMFSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-6(2)8-4-7(9)5-10-8/h7,10H,3-5,9H2,1-2H3/b8-6-/t7-/m0/s1.
What are the key properties of (3S,5Z)-5-butan-2-ylidenepyrrolidin-3-amine?
(3S,5Z)-5-butan-2-ylidenepyrrolidin-3-amine has a molecular weight of 140.23 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5Z)-5-butan-2-ylidenepyrrolidin-3-amine is sourced from PubChem (CID 126757237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).