N-[(E)-but-2-en-2-yl]-1,3-dihydroisoindole-2-carboxamide

C13H16N2O — CID 138509690

IUPACN-[(E)-but-2-en-2-yl]-1,3-dihydroisoindole-2-carboxamide
SMILESC/C=C(\C)NC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C13H16N2O/c1-3-10(2)14-13(16)15-8-11-6-4-5-7-12(11)9-15/h3-7H,8-9H2,1-2H3,(H,14,16)/b10-3+
InChIKeyZDRWIZBUCGRLGM-XCVCLJGOSA-N
MW216.28 g/mol
LogP2.64
Rot. Bonds1

About N-[(E)-but-2-en-2-yl]-1,3-dihydroisoindole-2-carboxamide

N-[(E)-but-2-en-2-yl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 138509690) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID138509690
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[(E)-but-2-en-2-yl]-1,3-dihydroisoindole-2-carboxamide
SMILESC/C=C(\C)NC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C13H16N2O/c1-3-10(2)14-13(16)15-8-11-6-4-5-7-12(11)9-15/h3-7H,8-9H2,1-2H3,(H,14,16)/b10-3+
InChIKeyZDRWIZBUCGRLGM-XCVCLJGOSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1,3-dihydroisoindole-2-carbonylamino)-4-oxobutanoic acid
CID 55050342
(E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbut-2-en-1-one
CID 11264387
N-(4-formylphenyl)-1,3-dihydroisoindole-2-carboxamide
CID 86665079
N-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide
CID 123680742
2-(1,3-dihydroisoindole-2-carbonylamino)-2-ethylbutanoic acid
CID 79803994
bromo 1,3-dihydroisoindole-2-carboxylate
CID 175323334
1,4-bis(1,3-dihydroisoindol-2-yl)-2,3-dimethylbutane-1,4-dione
CID 119035210
(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxybutan-1-one
CID 143154451
2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid
CID 62230167
N-[(E)-2,3,3-trimethylbut-1-enyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108915109
S-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl] ethanethioate
CID 166512227
1-(1,3-dihydroisoindol-2-yl)-2-sulfanylpropan-1-one
CID 107028048

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[(E)-but-2-en-2-yl]-1,3-dihydroisoindole-2-carboxamide (CID 138509690) is N-[(E)-but-2-en-2-yl]-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[(E)-but-2-en-2-yl]-1,3-dihydroisoindole-2-carboxamide is C/C=C(\C)NC(=O)N1Cc2ccccc2C1.
What is the InChIKey of N-[(E)-but-2-en-2-yl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is ZDRWIZBUCGRLGM-XCVCLJGOSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-10(2)14-13(16)15-8-11-6-4-5-7-12(11)9-15/h3-7H,8-9H2,1-2H3,(H,14,16)/b10-3+.
What are the key properties of N-[(E)-but-2-en-2-yl]-1,3-dihydroisoindole-2-carboxamide?
N-[(E)-but-2-en-2-yl]-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 216.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 138509690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).