2-amino-1-pyrrolidin-1-ylpent-4-en-1-one;hydrochloride

C9H17ClN2O — CID 169096789

IUPAC2-amino-1-pyrrolidin-1-ylpent-4-en-1-one;hydrochloride
SMILESC=CCC(N)C(=O)N1CCCC1.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-2-5-8(10)9(12)11-6-3-4-7-11;/h2,8H,1,3-7,10H2;1H
InChIKeyFUDFUDNDSBEFQA-UHFFFAOYSA-N
MW204.70 g/mol
LogP0.93
Rot. Bonds3

About 2-amino-1-pyrrolidin-1-ylpent-4-en-1-one;hydrochloride

2-amino-1-pyrrolidin-1-ylpent-4-en-1-one;hydrochloride (PubChem CID 169096789) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 2-amino-1-pyrrolidin-1-ylpent-4-en-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-pyrrolidin-1-ylpent-4-en-1-one;hydrochloride
PubChem CID169096789
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name2-amino-1-pyrrolidin-1-ylpent-4-en-1-one;hydrochloride
SMILESC=CCC(N)C(=O)N1CCCC1.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-2-5-8(10)9(12)11-6-3-4-7-11;/h2,8H,1,3-7,10H2;1H
InChIKeyFUDFUDNDSBEFQA-UHFFFAOYSA-N
XLogP0.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.93
H-Bond Donors ≤ 51
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 2-amino-1-pyrrolidin-1-ylpent-4-en-1-one;hydrochloride?
The IUPAC name of 2-amino-1-pyrrolidin-1-ylpent-4-en-1-one;hydrochloride (CID 169096789) is 2-amino-1-pyrrolidin-1-ylpent-4-en-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-pyrrolidin-1-ylpent-4-en-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-pyrrolidin-1-ylpent-4-en-1-one;hydrochloride is C=CCC(N)C(=O)N1CCCC1.Cl.
What is the InChIKey of 2-amino-1-pyrrolidin-1-ylpent-4-en-1-one;hydrochloride?
The InChIKey is FUDFUDNDSBEFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c1-2-5-8(10)9(12)11-6-3-4-7-11;/h2,8H,1,3-7,10H2;1H.
What are the key properties of 2-amino-1-pyrrolidin-1-ylpent-4-en-1-one;hydrochloride?
2-amino-1-pyrrolidin-1-ylpent-4-en-1-one;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-pyrrolidin-1-ylpent-4-en-1-one;hydrochloride is sourced from PubChem (CID 169096789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).