[1-(2-methylpropanoyl)pyrrolidin-2-yl]azaniumylideneazanide

C8H15N3O — CID 20659756

IUPAC[1-(2-methylpropanoyl)pyrrolidin-2-yl]azaniumylideneazanide
SMILESCC(C)C(=O)N1CCCC1[NH+]=[N-]
InChIInChI=1S/C8H15N3O/c1-6(2)8(12)11-5-3-4-7(11)10-9/h6-7,10H,3-5H2,1-2H3
InChIKeyAXAHCBBLURLGNN-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.31
Rot. Bonds2

About [1-(2-methylpropanoyl)pyrrolidin-2-yl]azaniumylideneazanide

[1-(2-methylpropanoyl)pyrrolidin-2-yl]azaniumylideneazanide (PubChem CID 20659756) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is [1-(2-methylpropanoyl)pyrrolidin-2-yl]azaniumylideneazanide.

Molecular Properties

Compound Name[1-(2-methylpropanoyl)pyrrolidin-2-yl]azaniumylideneazanide
PubChem CID20659756
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name[1-(2-methylpropanoyl)pyrrolidin-2-yl]azaniumylideneazanide
SMILESCC(C)C(=O)N1CCCC1[NH+]=[N-]
InChIInChI=1S/C8H15N3O/c1-6(2)8(12)11-5-3-4-7(11)10-9/h6-7,10H,3-5H2,1-2H3
InChIKeyAXAHCBBLURLGNN-UHFFFAOYSA-N
XLogP-0.31
TPSA56.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 61063339
1-(2-ethynylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 176757807
[1-(2-methylpropanoyl)pyrrolidin-2-yl]-N-oxoboronamidic acid
CID 143532560
2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one
CID 79539984
2-methyl-1-[(2S)-2-propanoylpyrrolidin-1-yl]propan-1-one
CID 121371179
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
2-methyl-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 58333477
ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 143767685
1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
2-amino-1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 62123034

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropanoyl)pyrrolidin-2-yl]azaniumylideneazanide?
The IUPAC name of [1-(2-methylpropanoyl)pyrrolidin-2-yl]azaniumylideneazanide (CID 20659756) is [1-(2-methylpropanoyl)pyrrolidin-2-yl]azaniumylideneazanide.
What is the SMILES notation for [1-(2-methylpropanoyl)pyrrolidin-2-yl]azaniumylideneazanide?
The canonical SMILES for [1-(2-methylpropanoyl)pyrrolidin-2-yl]azaniumylideneazanide is CC(C)C(=O)N1CCCC1[NH+]=[N-].
What is the InChIKey of [1-(2-methylpropanoyl)pyrrolidin-2-yl]azaniumylideneazanide?
The InChIKey is AXAHCBBLURLGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(2)8(12)11-5-3-4-7(11)10-9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of [1-(2-methylpropanoyl)pyrrolidin-2-yl]azaniumylideneazanide?
[1-(2-methylpropanoyl)pyrrolidin-2-yl]azaniumylideneazanide has a molecular weight of 169.23 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropanoyl)pyrrolidin-2-yl]azaniumylideneazanide is sourced from PubChem (CID 20659756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).