2-but-3-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

C11H20N2 — CID 130641061

IUPAC2-but-3-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESC=CC(C)N1CC2CCC(N)C2C1
InChIInChI=1S/C11H20N2/c1-3-8(2)13-6-9-4-5-11(12)10(9)7-13/h3,8-11H,1,4-7,12H2,2H3
InChIKeyHKQPIYQYQAKFBX-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.23
Rot. Bonds2

About 2-but-3-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

2-but-3-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (PubChem CID 130641061) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 2-but-3-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.

Molecular Properties

Compound Name2-but-3-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
PubChem CID130641061
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name2-but-3-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESC=CC(C)N1CC2CCC(N)C2C1
InChIInChI=1S/C11H20N2/c1-3-8(2)13-6-9-4-5-11(12)10(9)7-13/h3,8-11H,1,4-7,12H2,2H3
InChIKeyHKQPIYQYQAKFBX-UHFFFAOYSA-N
XLogP1.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-but-3-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The IUPAC name of 2-but-3-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (CID 130641061) is 2-but-3-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.
What is the SMILES notation for 2-but-3-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The canonical SMILES for 2-but-3-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is C=CC(C)N1CC2CCC(N)C2C1.
What is the InChIKey of 2-but-3-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The InChIKey is HKQPIYQYQAKFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-8(2)13-6-9-4-5-11(12)10(9)7-13/h3,8-11H,1,4-7,12H2,2H3.
What are the key properties of 2-but-3-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
2-but-3-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine has a molecular weight of 180.30 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is sourced from PubChem (CID 130641061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).