N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2-prop-2-enoxybenzamide

C16H17N3O2 — CID 126838841

IUPACN-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NC1CCn2cncc21
InChIInChI=1S/C16H17N3O2/c1-2-9-21-15-6-4-3-5-12(15)16(20)18-13-7-8-19-11-17-10-14(13)19/h2-6,10-11,13H,1,7-9H2,(H,18,20)
InChIKeyMVWLBBUYABWDJG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.32
Rot. Bonds5

About N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2-prop-2-enoxybenzamide

N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2-prop-2-enoxybenzamide (PubChem CID 126838841) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2-prop-2-enoxybenzamide
PubChem CID126838841
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NC1CCn2cncc21
InChIInChI=1S/C16H17N3O2/c1-2-9-21-15-6-4-3-5-12(15)16(20)18-13-7-8-19-11-17-10-14(13)19/h2-6,10-11,13H,1,7-9H2,(H,18,20)
InChIKeyMVWLBBUYABWDJG-UHFFFAOYSA-N
XLogP2.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide
CID 126831789
N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide
CID 104957272
N-piperidin-4-yl-2-prop-2-enoxybenzamide
CID 119390242
N'-(cyclopropanecarbonyl)-2-prop-2-enoxybenzohydrazide
CID 4929134
N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride
CID 119478882
3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032902
N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide
CID 106364464
N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride
CID 120599440
(4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
CID 43417500
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
CID 70191473
CID 70191473
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2-prop-2-enoxybenzamide?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2-prop-2-enoxybenzamide (CID 126838841) is N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2-prop-2-enoxybenzamide?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)NC1CCn2cncc21.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2-prop-2-enoxybenzamide?
The InChIKey is MVWLBBUYABWDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-9-21-15-6-4-3-5-12(15)16(20)18-13-7-8-19-11-17-10-14(13)19/h2-6,10-11,13H,1,7-9H2,(H,18,20).
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2-prop-2-enoxybenzamide?
N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2-prop-2-enoxybenzamide has a molecular weight of 283.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2-prop-2-enoxybenzamide is sourced from PubChem (CID 126838841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).