N-(3-methylbut-2-enyl)azetidine-1-carboxamide

C9H16N2O — CID 130669860

IUPACN-(3-methylbut-2-enyl)azetidine-1-carboxamide
SMILESCC(C)=CCNC(=O)N1CCC1
InChIInChI=1S/C9H16N2O/c1-8(2)4-5-10-9(12)11-6-3-7-11/h4H,3,5-7H2,1-2H3,(H,10,12)
InChIKeyZFUMBSTXQXOUSM-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.37
Rot. Bonds2

About N-(3-methylbut-2-enyl)azetidine-1-carboxamide

N-(3-methylbut-2-enyl)azetidine-1-carboxamide (PubChem CID 130669860) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)azetidine-1-carboxamide
PubChem CID130669860
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(3-methylbut-2-enyl)azetidine-1-carboxamide
SMILESCC(C)=CCNC(=O)N1CCC1
InChIInChI=1S/C9H16N2O/c1-8(2)4-5-10-9(12)11-6-3-7-11/h4H,3,5-7H2,1-2H3,(H,10,12)
InChIKeyZFUMBSTXQXOUSM-UHFFFAOYSA-N
XLogP1.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-methylbut-2-enylcarbamoyl)piperidin-4-yl]acetic acid
CID 114156215
1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 106191164
3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid
CID 106191160
N-prop-2-enylpyrrolidine-1-carboxamide
CID 102517238
1-(3-methylbut-2-enylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 106191155
N-(2-oxopropyl)azepane-1-carboxamide
CID 79152815
2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 103520472
N-[(E)-3-methylsulfonylprop-2-enyl]piperidine-1-carboxamide
CID 170718582
N-(2-acetamidoethyl)piperidine-1-carboxamide
CID 115575266
N-[(piperidine-1-carbonylamino)methyl]piperidine-1-carboxamide
CID 59031008
2-(azocane-1-carbonylamino)acetic acid
CID 43445649
N-prop-2-ynylpyrrolidine-1-carboxamide
CID 112722494

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)azetidine-1-carboxamide?
The IUPAC name of N-(3-methylbut-2-enyl)azetidine-1-carboxamide (CID 130669860) is N-(3-methylbut-2-enyl)azetidine-1-carboxamide.
What is the SMILES notation for N-(3-methylbut-2-enyl)azetidine-1-carboxamide?
The canonical SMILES for N-(3-methylbut-2-enyl)azetidine-1-carboxamide is CC(C)=CCNC(=O)N1CCC1.
What is the InChIKey of N-(3-methylbut-2-enyl)azetidine-1-carboxamide?
The InChIKey is ZFUMBSTXQXOUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(2)4-5-10-9(12)11-6-3-7-11/h4H,3,5-7H2,1-2H3,(H,10,12).
What are the key properties of N-(3-methylbut-2-enyl)azetidine-1-carboxamide?
N-(3-methylbut-2-enyl)azetidine-1-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)azetidine-1-carboxamide is sourced from PubChem (CID 130669860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).