N-[3-(methylamino)cyclobuta-1,2-dien-1-yl]acetamide

C7H10N2O — CID 121360866

IUPACN-[3-(methylamino)cyclobuta-1,2-dien-1-yl]acetamide
SMILESCNC1=C=C(NC(C)=O)C1
InChIInChI=1S/C7H10N2O/c1-5(10)9-7-3-6(4-7)8-2/h8H,3H2,1-2H3,(H,9,10)
InChIKeyBOCAVQBARCXUKK-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.11
Rot. Bonds2

About N-[3-(methylamino)cyclobuta-1,2-dien-1-yl]acetamide

N-[3-(methylamino)cyclobuta-1,2-dien-1-yl]acetamide (PubChem CID 121360866) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is N-[3-(methylamino)cyclobuta-1,2-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(methylamino)cyclobuta-1,2-dien-1-yl]acetamide
PubChem CID121360866
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC NameN-[3-(methylamino)cyclobuta-1,2-dien-1-yl]acetamide
SMILESCNC1=C=C(NC(C)=O)C1
InChIInChI=1S/C7H10N2O/c1-5(10)9-7-3-6(4-7)8-2/h8H,3H2,1-2H3,(H,9,10)
InChIKeyBOCAVQBARCXUKK-UHFFFAOYSA-N
XLogP0.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)cyclobuta-1,2-dien-1-yl]acetamide?
The IUPAC name of N-[3-(methylamino)cyclobuta-1,2-dien-1-yl]acetamide (CID 121360866) is N-[3-(methylamino)cyclobuta-1,2-dien-1-yl]acetamide.
What is the SMILES notation for N-[3-(methylamino)cyclobuta-1,2-dien-1-yl]acetamide?
The canonical SMILES for N-[3-(methylamino)cyclobuta-1,2-dien-1-yl]acetamide is CNC1=C=C(NC(C)=O)C1.
What is the InChIKey of N-[3-(methylamino)cyclobuta-1,2-dien-1-yl]acetamide?
The InChIKey is BOCAVQBARCXUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5(10)9-7-3-6(4-7)8-2/h8H,3H2,1-2H3,(H,9,10).
What are the key properties of N-[3-(methylamino)cyclobuta-1,2-dien-1-yl]acetamide?
N-[3-(methylamino)cyclobuta-1,2-dien-1-yl]acetamide has a molecular weight of 138.17 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)cyclobuta-1,2-dien-1-yl]acetamide is sourced from PubChem (CID 121360866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).