N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C16H20N2O — CID 104557956

IUPACN,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cccc2c1CCNC2
InChIInChI=1S/C16H20N2O/c1-3-10-18(11-4-2)16(19)15-7-5-6-13-12-17-9-8-14(13)15/h3-7,17H,1-2,8-12H2
InChIKeyFJXIFPOPLKQGIV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.15
Rot. Bonds5

About N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104557956) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104557956
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cccc2c1CCNC2
InChIInChI=1S/C16H20N2O/c1-3-10-18(11-4-2)16(19)15-7-5-6-13-12-17-9-8-14(13)15/h3-7,17H,1-2,8-12H2
InChIKeyFJXIFPOPLKQGIV-UHFFFAOYSA-N
XLogP2.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.15
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,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104557956) is N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is C=CCN(CC=C)C(=O)c1cccc2c1CCNC2.
What is the InChIKey of N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is FJXIFPOPLKQGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-10-18(11-4-2)16(19)15-7-5-6-13-12-17-9-8-14(13)15/h3-7,17H,1-2,8-12H2.
What are the key properties of N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104557956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).