2,3-dihydro-1H-inden-2-yl N-[(E)-4-aminobut-2-enyl]carbamate

C14H18N2O2 — CID 156899525

IUPAC2,3-dihydro-1H-inden-2-yl N-[(E)-4-aminobut-2-enyl]carbamate
SMILESNC/C=C/CNC(=O)OC1Cc2ccccc2C1
InChIInChI=1S/C14H18N2O2/c15-7-3-4-8-16-14(17)18-13-9-11-5-1-2-6-12(11)10-13/h1-6,13H,7-10,15H2,(H,16,17)/b4-3+
InChIKeyFKHGTSXDYVKFRJ-ONEGZZNKSA-N
MW246.31 g/mol
LogP1.39
Rot. Bonds4

About 2,3-dihydro-1H-inden-2-yl N-[(E)-4-aminobut-2-enyl]carbamate

2,3-dihydro-1H-inden-2-yl N-[(E)-4-aminobut-2-enyl]carbamate (PubChem CID 156899525) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl N-[(E)-4-aminobut-2-enyl]carbamate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl N-[(E)-4-aminobut-2-enyl]carbamate
PubChem CID156899525
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2,3-dihydro-1H-inden-2-yl N-[(E)-4-aminobut-2-enyl]carbamate
SMILESNC/C=C/CNC(=O)OC1Cc2ccccc2C1
InChIInChI=1S/C14H18N2O2/c15-7-3-4-8-16-14(17)18-13-9-11-5-1-2-6-12(11)10-13/h1-6,13H,7-10,15H2,(H,16,17)/b4-3+
InChIKeyFKHGTSXDYVKFRJ-ONEGZZNKSA-N
XLogP1.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.39
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 2,3-dihydro-1H-inden-2-yl N-[(E)-4-aminobut-2-enyl]carbamate?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl N-[(E)-4-aminobut-2-enyl]carbamate (CID 156899525) is 2,3-dihydro-1H-inden-2-yl N-[(E)-4-aminobut-2-enyl]carbamate.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl N-[(E)-4-aminobut-2-enyl]carbamate?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl N-[(E)-4-aminobut-2-enyl]carbamate is NC/C=C/CNC(=O)OC1Cc2ccccc2C1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl N-[(E)-4-aminobut-2-enyl]carbamate?
The InChIKey is FKHGTSXDYVKFRJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-7-3-4-8-16-14(17)18-13-9-11-5-1-2-6-12(11)10-13/h1-6,13H,7-10,15H2,(H,16,17)/b4-3+.
What are the key properties of 2,3-dihydro-1H-inden-2-yl N-[(E)-4-aminobut-2-enyl]carbamate?
2,3-dihydro-1H-inden-2-yl N-[(E)-4-aminobut-2-enyl]carbamate has a molecular weight of 246.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl N-[(E)-4-aminobut-2-enyl]carbamate is sourced from PubChem (CID 156899525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).