[3-(4-methylpent-2-enyl)-2,3-dihydro-1H-pyrrole-5-carbonyl]azanium

C11H19N2O+ — CID 163950449

IUPAC[3-(4-methylpent-2-enyl)-2,3-dihydro-1H-pyrrole-5-carbonyl]azanium
SMILESCC(C)C=CCC1C=C(C([NH3+])=O)NC1
InChIInChI=1S/C11H18N2O/c1-8(2)4-3-5-9-6-10(11(12)14)13-7-9/h3-4,6,8-9,13H,5,7H2,1-2H3,(H2,12,14)/p+1
InChIKeyRYVNVPKJFNSIKU-UHFFFAOYSA-O
MW195.29 g/mol
LogP0.46
Rot. Bonds4

About [3-(4-methylpent-2-enyl)-2,3-dihydro-1H-pyrrole-5-carbonyl]azanium

[3-(4-methylpent-2-enyl)-2,3-dihydro-1H-pyrrole-5-carbonyl]azanium (PubChem CID 163950449) has the molecular formula C11H19N2O+ and a molecular weight of 195.29 g/mol. Its IUPAC name is [3-(4-methylpent-2-enyl)-2,3-dihydro-1H-pyrrole-5-carbonyl]azanium.

Molecular Properties

Compound Name[3-(4-methylpent-2-enyl)-2,3-dihydro-1H-pyrrole-5-carbonyl]azanium
PubChem CID163950449
Molecular FormulaC11H19N2O+
Molecular Weight195.29 g/mol
Exact Mass195.15
IUPAC Name[3-(4-methylpent-2-enyl)-2,3-dihydro-1H-pyrrole-5-carbonyl]azanium
SMILESCC(C)C=CCC1C=C(C([NH3+])=O)NC1
InChIInChI=1S/C11H18N2O/c1-8(2)4-3-5-9-6-10(11(12)14)13-7-9/h3-4,6,8-9,13H,5,7H2,1-2H3,(H2,12,14)/p+1
InChIKeyRYVNVPKJFNSIKU-UHFFFAOYSA-O
XLogP0.46
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [3-(4-methylpent-2-enyl)-2,3-dihydro-1H-pyrrole-5-carbonyl]azanium?
The IUPAC name of [3-(4-methylpent-2-enyl)-2,3-dihydro-1H-pyrrole-5-carbonyl]azanium (CID 163950449) is [3-(4-methylpent-2-enyl)-2,3-dihydro-1H-pyrrole-5-carbonyl]azanium.
What is the SMILES notation for [3-(4-methylpent-2-enyl)-2,3-dihydro-1H-pyrrole-5-carbonyl]azanium?
The canonical SMILES for [3-(4-methylpent-2-enyl)-2,3-dihydro-1H-pyrrole-5-carbonyl]azanium is CC(C)C=CCC1C=C(C([NH3+])=O)NC1.
What is the InChIKey of [3-(4-methylpent-2-enyl)-2,3-dihydro-1H-pyrrole-5-carbonyl]azanium?
The InChIKey is RYVNVPKJFNSIKU-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H18N2O/c1-8(2)4-3-5-9-6-10(11(12)14)13-7-9/h3-4,6,8-9,13H,5,7H2,1-2H3,(H2,12,14)/p+1.
What are the key properties of [3-(4-methylpent-2-enyl)-2,3-dihydro-1H-pyrrole-5-carbonyl]azanium?
[3-(4-methylpent-2-enyl)-2,3-dihydro-1H-pyrrole-5-carbonyl]azanium has a molecular weight of 195.29 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylpent-2-enyl)-2,3-dihydro-1H-pyrrole-5-carbonyl]azanium is sourced from PubChem (CID 163950449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).