1-amino-3-cyclopropylpropan-2-one

C6H11NO — CID 65180088

IUPAC1-amino-3-cyclopropylpropan-2-one
SMILESNCC(=O)CC1CC1
InChIInChI=1S/C6H11NO/c7-4-6(8)3-5-1-2-5/h5H,1-4,7H2
InChIKeyYOQFMSBXAJNJJA-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.31
Rot. Bonds3

About 1-amino-3-cyclopropylpropan-2-one

1-amino-3-cyclopropylpropan-2-one (PubChem CID 65180088) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-amino-3-cyclopropylpropan-2-one.

Molecular Properties

Compound Name1-amino-3-cyclopropylpropan-2-one
PubChem CID65180088
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1-amino-3-cyclopropylpropan-2-one
SMILESNCC(=O)CC1CC1
InChIInChI=1S/C6H11NO/c7-4-6(8)3-5-1-2-5/h5H,1-4,7H2
InChIKeyYOQFMSBXAJNJJA-UHFFFAOYSA-N
XLogP0.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopropylpropan-2-one?
The IUPAC name of 1-amino-3-cyclopropylpropan-2-one (CID 65180088) is 1-amino-3-cyclopropylpropan-2-one.
What is the SMILES notation for 1-amino-3-cyclopropylpropan-2-one?
The canonical SMILES for 1-amino-3-cyclopropylpropan-2-one is NCC(=O)CC1CC1.
What is the InChIKey of 1-amino-3-cyclopropylpropan-2-one?
The InChIKey is YOQFMSBXAJNJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c7-4-6(8)3-5-1-2-5/h5H,1-4,7H2.
What are the key properties of 1-amino-3-cyclopropylpropan-2-one?
1-amino-3-cyclopropylpropan-2-one has a molecular weight of 113.16 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopropylpropan-2-one is sourced from PubChem (CID 65180088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).