4-aminobutanamide;cycloheptene;hydrochloride

C11H23ClN2O — CID 174516448

IUPAC4-aminobutanamide;cycloheptene;hydrochloride
SMILESC1=CCCCCC1.Cl.NCCCC(N)=O
InChIInChI=1S/C7H12.C4H10N2O.ClH/c1-2-4-6-7-5-3-1;5-3-1-2-4(6)7;/h1-2H,3-7H2;1-3,5H2,(H2,6,7);1H
InChIKeySIKIXVDTZKGJAQ-UHFFFAOYSA-N
MW234.77 g/mol
LogP2.14
Rot. Bonds3

About 4-aminobutanamide;cycloheptene;hydrochloride

4-aminobutanamide;cycloheptene;hydrochloride (PubChem CID 174516448) has the molecular formula C11H23ClN2O and a molecular weight of 234.77 g/mol. Its IUPAC name is 4-aminobutanamide;cycloheptene;hydrochloride.

Molecular Properties

Compound Name4-aminobutanamide;cycloheptene;hydrochloride
PubChem CID174516448
Molecular FormulaC11H23ClN2O
Molecular Weight234.77 g/mol
Exact Mass234.15
IUPAC Name4-aminobutanamide;cycloheptene;hydrochloride
SMILESC1=CCCCCC1.Cl.NCCCC(N)=O
InChIInChI=1S/C7H12.C4H10N2O.ClH/c1-2-4-6-7-5-3-1;5-3-1-2-4(6)7;/h1-2H,3-7H2;1-3,5H2,(H2,6,7);1H
InChIKeySIKIXVDTZKGJAQ-UHFFFAOYSA-N
XLogP2.14
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-aminobutanoic acid;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-aminobutanamide;cycloheptene;hydrochloride?
The IUPAC name of 4-aminobutanamide;cycloheptene;hydrochloride (CID 174516448) is 4-aminobutanamide;cycloheptene;hydrochloride.
What is the SMILES notation for 4-aminobutanamide;cycloheptene;hydrochloride?
The canonical SMILES for 4-aminobutanamide;cycloheptene;hydrochloride is C1=CCCCCC1.Cl.NCCCC(N)=O.
What is the InChIKey of 4-aminobutanamide;cycloheptene;hydrochloride?
The InChIKey is SIKIXVDTZKGJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C4H10N2O.ClH/c1-2-4-6-7-5-3-1;5-3-1-2-4(6)7;/h1-2H,3-7H2;1-3,5H2,(H2,6,7);1H.
What are the key properties of 4-aminobutanamide;cycloheptene;hydrochloride?
4-aminobutanamide;cycloheptene;hydrochloride has a molecular weight of 234.77 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutanamide;cycloheptene;hydrochloride is sourced from PubChem (CID 174516448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).