N-[3-(buta-1,3-dien-2-ylamino)cyclobutyl]acetamide

C10H16N2O — CID 157408507

IUPACN-[3-(buta-1,3-dien-2-ylamino)cyclobutyl]acetamide
SMILESC=CC(=C)NC1CC(NC(C)=O)C1
InChIInChI=1S/C10H16N2O/c1-4-7(2)11-9-5-10(6-9)12-8(3)13/h4,9-11H,1-2,5-6H2,3H3,(H,12,13)
InChIKeyBNZURSDGZZKPLL-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.94
Rot. Bonds4

About N-[3-(buta-1,3-dien-2-ylamino)cyclobutyl]acetamide

N-[3-(buta-1,3-dien-2-ylamino)cyclobutyl]acetamide (PubChem CID 157408507) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-[3-(buta-1,3-dien-2-ylamino)cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[3-(buta-1,3-dien-2-ylamino)cyclobutyl]acetamide
PubChem CID157408507
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-[3-(buta-1,3-dien-2-ylamino)cyclobutyl]acetamide
SMILESC=CC(=C)NC1CC(NC(C)=O)C1
InChIInChI=1S/C10H16N2O/c1-4-7(2)11-9-5-10(6-9)12-8(3)13/h4,9-11H,1-2,5-6H2,3H3,(H,12,13)
InChIKeyBNZURSDGZZKPLL-UHFFFAOYSA-N
XLogP0.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(buta-1,3-dien-2-ylamino)cyclobutyl]acetamide?
The IUPAC name of N-[3-(buta-1,3-dien-2-ylamino)cyclobutyl]acetamide (CID 157408507) is N-[3-(buta-1,3-dien-2-ylamino)cyclobutyl]acetamide.
What is the SMILES notation for N-[3-(buta-1,3-dien-2-ylamino)cyclobutyl]acetamide?
The canonical SMILES for N-[3-(buta-1,3-dien-2-ylamino)cyclobutyl]acetamide is C=CC(=C)NC1CC(NC(C)=O)C1.
What is the InChIKey of N-[3-(buta-1,3-dien-2-ylamino)cyclobutyl]acetamide?
The InChIKey is BNZURSDGZZKPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-7(2)11-9-5-10(6-9)12-8(3)13/h4,9-11H,1-2,5-6H2,3H3,(H,12,13).
What are the key properties of N-[3-(buta-1,3-dien-2-ylamino)cyclobutyl]acetamide?
N-[3-(buta-1,3-dien-2-ylamino)cyclobutyl]acetamide has a molecular weight of 180.25 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(buta-1,3-dien-2-ylamino)cyclobutyl]acetamide is sourced from PubChem (CID 157408507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).