N-[2-[(E)-but-2-enyl]-4,5,6,7-tetrahydroisoindol-5-yl]acetamide

C14H20N2O — CID 23463971

IUPACN-[2-[(E)-but-2-enyl]-4,5,6,7-tetrahydroisoindol-5-yl]acetamide
SMILESC/C=C/Cn1cc2c(c1)CC(NC(C)=O)CC2
InChIInChI=1S/C14H20N2O/c1-3-4-7-16-9-12-5-6-14(15-11(2)17)8-13(12)10-16/h3-4,9-10,14H,5-8H2,1-2H3,(H,15,17)/b4-3+
InChIKeyMVKRBROXVNFMTD-ONEGZZNKSA-N
MW232.33 g/mol
LogP2.06
Rot. Bonds3

About N-[2-[(E)-but-2-enyl]-4,5,6,7-tetrahydroisoindol-5-yl]acetamide

N-[2-[(E)-but-2-enyl]-4,5,6,7-tetrahydroisoindol-5-yl]acetamide (PubChem CID 23463971) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[2-[(E)-but-2-enyl]-4,5,6,7-tetrahydroisoindol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(E)-but-2-enyl]-4,5,6,7-tetrahydroisoindol-5-yl]acetamide
PubChem CID23463971
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[2-[(E)-but-2-enyl]-4,5,6,7-tetrahydroisoindol-5-yl]acetamide
SMILESC/C=C/Cn1cc2c(c1)CC(NC(C)=O)CC2
InChIInChI=1S/C14H20N2O/c1-3-4-7-16-9-12-5-6-14(15-11(2)17)8-13(12)10-16/h3-4,9-10,14H,5-8H2,1-2H3,(H,15,17)/b4-3+
InChIKeyMVKRBROXVNFMTD-ONEGZZNKSA-N
XLogP2.06
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.06
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 N-[2-[(E)-but-2-enyl]-4,5,6,7-tetrahydroisoindol-5-yl]acetamide?
The IUPAC name of N-[2-[(E)-but-2-enyl]-4,5,6,7-tetrahydroisoindol-5-yl]acetamide (CID 23463971) is N-[2-[(E)-but-2-enyl]-4,5,6,7-tetrahydroisoindol-5-yl]acetamide.
What is the SMILES notation for N-[2-[(E)-but-2-enyl]-4,5,6,7-tetrahydroisoindol-5-yl]acetamide?
The canonical SMILES for N-[2-[(E)-but-2-enyl]-4,5,6,7-tetrahydroisoindol-5-yl]acetamide is C/C=C/Cn1cc2c(c1)CC(NC(C)=O)CC2.
What is the InChIKey of N-[2-[(E)-but-2-enyl]-4,5,6,7-tetrahydroisoindol-5-yl]acetamide?
The InChIKey is MVKRBROXVNFMTD-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-4-7-16-9-12-5-6-14(15-11(2)17)8-13(12)10-16/h3-4,9-10,14H,5-8H2,1-2H3,(H,15,17)/b4-3+.
What are the key properties of N-[2-[(E)-but-2-enyl]-4,5,6,7-tetrahydroisoindol-5-yl]acetamide?
N-[2-[(E)-but-2-enyl]-4,5,6,7-tetrahydroisoindol-5-yl]acetamide has a molecular weight of 232.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-but-2-enyl]-4,5,6,7-tetrahydroisoindol-5-yl]acetamide is sourced from PubChem (CID 23463971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).