2-[2-(ethylaminomethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C13H24N2O — CID 103071209

IUPAC2-[2-(ethylaminomethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESC=C(CNCC)CN1CC2CCC(O)C2C1
InChIInChI=1S/C13H24N2O/c1-3-14-6-10(2)7-15-8-11-4-5-13(16)12(11)9-15/h11-14,16H,2-9H2,1H3
InChIKeyXNFHXACGBNSLIQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.85
Rot. Bonds5

About 2-[2-(ethylaminomethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-[2-(ethylaminomethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 103071209) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID103071209
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-[2-(ethylaminomethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESC=C(CNCC)CN1CC2CCC(O)C2C1
InChIInChI=1S/C13H24N2O/c1-3-14-6-10(2)7-15-8-11-4-5-13(16)12(11)9-15/h11-14,16H,2-9H2,1H3
InChIKeyXNFHXACGBNSLIQ-UHFFFAOYSA-N
XLogP0.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(ethylaminomethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-[2-(ethylaminomethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 103071209) is 2-[2-(ethylaminomethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[2-(ethylaminomethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-[2-(ethylaminomethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is C=C(CNCC)CN1CC2CCC(O)C2C1.
What is the InChIKey of 2-[2-(ethylaminomethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is XNFHXACGBNSLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-14-6-10(2)7-15-8-11-4-5-13(16)12(11)9-15/h11-14,16H,2-9H2,1H3.
What are the key properties of 2-[2-(ethylaminomethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-[2-(ethylaminomethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 224.35 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 103071209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).