prop-2-enyl 2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazole-1-carboxylate

C16H19N3O2 — CID 23459988

IUPACprop-2-enyl 2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazole-1-carboxylate
SMILESC=CCOC(=O)N1CCN=C1Nc1cccc2c1CCC2
InChIInChI=1S/C16H19N3O2/c1-2-11-21-16(20)19-10-9-17-15(19)18-14-8-4-6-12-5-3-7-13(12)14/h2,4,6,8H,1,3,5,7,9-11H2,(H,17,18)
InChIKeyLQRCNKURGAYJSH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.58
Rot. Bonds3

About prop-2-enyl 2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazole-1-carboxylate

prop-2-enyl 2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazole-1-carboxylate (PubChem CID 23459988) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is prop-2-enyl 2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazole-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazole-1-carboxylate
PubChem CID23459988
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nameprop-2-enyl 2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazole-1-carboxylate
SMILESC=CCOC(=O)N1CCN=C1Nc1cccc2c1CCC2
InChIInChI=1S/C16H19N3O2/c1-2-11-21-16(20)19-10-9-17-15(19)18-14-8-4-6-12-5-3-7-13(12)14/h2,4,6,8H,1,3,5,7,9-11H2,(H,17,18)
InChIKeyLQRCNKURGAYJSH-UHFFFAOYSA-N
XLogP2.58
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 prop-2-enyl 2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazole-1-carboxylate?
The IUPAC name of prop-2-enyl 2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazole-1-carboxylate (CID 23459988) is prop-2-enyl 2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazole-1-carboxylate.
What is the SMILES notation for prop-2-enyl 2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazole-1-carboxylate?
The canonical SMILES for prop-2-enyl 2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazole-1-carboxylate is C=CCOC(=O)N1CCN=C1Nc1cccc2c1CCC2.
What is the InChIKey of prop-2-enyl 2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazole-1-carboxylate?
The InChIKey is LQRCNKURGAYJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-11-21-16(20)19-10-9-17-15(19)18-14-8-4-6-12-5-3-7-13(12)14/h2,4,6,8H,1,3,5,7,9-11H2,(H,17,18).
What are the key properties of prop-2-enyl 2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazole-1-carboxylate?
prop-2-enyl 2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazole-1-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazole-1-carboxylate is sourced from PubChem (CID 23459988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).