4-(1,2-dihydroazocin-2-yl)butanamide;hydrochloride

C11H17ClN2O — CID 161241343

IUPAC4-(1,2-dihydroazocin-2-yl)butanamide;hydrochloride
SMILESCl.NC(=O)CCCC1C=CC=CC=CN1
InChIInChI=1S/C11H16N2O.ClH/c12-11(14)8-5-7-10-6-3-1-2-4-9-13-10;/h1-4,6,9-10,13H,5,7-8H2,(H2,12,14);1H
InChIKeyVAAWNRQFLKOKAA-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.66
Rot. Bonds4

About 4-(1,2-dihydroazocin-2-yl)butanamide;hydrochloride

4-(1,2-dihydroazocin-2-yl)butanamide;hydrochloride (PubChem CID 161241343) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-(1,2-dihydroazocin-2-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(1,2-dihydroazocin-2-yl)butanamide;hydrochloride
PubChem CID161241343
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-(1,2-dihydroazocin-2-yl)butanamide;hydrochloride
SMILESCl.NC(=O)CCCC1C=CC=CC=CN1
InChIInChI=1S/C11H16N2O.ClH/c12-11(14)8-5-7-10-6-3-1-2-4-9-13-10;/h1-4,6,9-10,13H,5,7-8H2,(H2,12,14);1H
InChIKeyVAAWNRQFLKOKAA-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydroazocin-2-yl)butanamide;hydrochloride?
The IUPAC name of 4-(1,2-dihydroazocin-2-yl)butanamide;hydrochloride (CID 161241343) is 4-(1,2-dihydroazocin-2-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-(1,2-dihydroazocin-2-yl)butanamide;hydrochloride?
The canonical SMILES for 4-(1,2-dihydroazocin-2-yl)butanamide;hydrochloride is Cl.NC(=O)CCCC1C=CC=CC=CN1.
What is the InChIKey of 4-(1,2-dihydroazocin-2-yl)butanamide;hydrochloride?
The InChIKey is VAAWNRQFLKOKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c12-11(14)8-5-7-10-6-3-1-2-4-9-13-10;/h1-4,6,9-10,13H,5,7-8H2,(H2,12,14);1H.
What are the key properties of 4-(1,2-dihydroazocin-2-yl)butanamide;hydrochloride?
4-(1,2-dihydroazocin-2-yl)butanamide;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydroazocin-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 161241343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).