N-prop-2-enyl-2,3-dihydro-1H-isoindole-1-carboxamide

C12H14N2O — CID 57440520

IUPACN-prop-2-enyl-2,3-dihydro-1H-isoindole-1-carboxamide
SMILESC=CCNC(=O)C1NCc2ccccc21
InChIInChI=1S/C12H14N2O/c1-2-7-13-12(15)11-10-6-4-3-5-9(10)8-14-11/h2-6,11,14H,1,7-8H2,(H,13,15)
InChIKeyDAAPXVQRLWHNMD-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.13
Rot. Bonds3

About N-prop-2-enyl-2,3-dihydro-1H-isoindole-1-carboxamide

N-prop-2-enyl-2,3-dihydro-1H-isoindole-1-carboxamide (PubChem CID 57440520) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-prop-2-enyl-2,3-dihydro-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-2,3-dihydro-1H-isoindole-1-carboxamide
PubChem CID57440520
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-prop-2-enyl-2,3-dihydro-1H-isoindole-1-carboxamide
SMILESC=CCNC(=O)C1NCc2ccccc21
InChIInChI=1S/C12H14N2O/c1-2-7-13-12(15)11-10-6-4-3-5-9(10)8-14-11/h2-6,11,14H,1,7-8H2,(H,13,15)
InChIKeyDAAPXVQRLWHNMD-UHFFFAOYSA-N
XLogP1.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethotoin
CID 3292
Thalidomide
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(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
Phthalimidine
CID 10199
Phenylhydantoin
CID 1002
Cyclo(L-Phe-L-Pro)
CID 443440
(R)-Thalidomide
CID 75792
N-benzyl-5-oxopyrrolidine-2-carboxamide
CID 3519775
(3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione
CID 99895
2-Phthalimidoacetamide
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CID 135339

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2,3-dihydro-1H-isoindole-1-carboxamide?
The IUPAC name of N-prop-2-enyl-2,3-dihydro-1H-isoindole-1-carboxamide (CID 57440520) is N-prop-2-enyl-2,3-dihydro-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-prop-2-enyl-2,3-dihydro-1H-isoindole-1-carboxamide?
The canonical SMILES for N-prop-2-enyl-2,3-dihydro-1H-isoindole-1-carboxamide is C=CCNC(=O)C1NCc2ccccc21.
What is the InChIKey of N-prop-2-enyl-2,3-dihydro-1H-isoindole-1-carboxamide?
The InChIKey is DAAPXVQRLWHNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-7-13-12(15)11-10-6-4-3-5-9(10)8-14-11/h2-6,11,14H,1,7-8H2,(H,13,15).
What are the key properties of N-prop-2-enyl-2,3-dihydro-1H-isoindole-1-carboxamide?
N-prop-2-enyl-2,3-dihydro-1H-isoindole-1-carboxamide has a molecular weight of 202.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2,3-dihydro-1H-isoindole-1-carboxamide is sourced from PubChem (CID 57440520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).