1-[(1R,2R)-1-amino-2-ethylcyclopropyl]-2-methylprop-2-en-1-one

C9H15NO — CID 89079632

IUPAC1-[(1R,2R)-1-amino-2-ethylcyclopropyl]-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)[C@@]1(N)C[C@H]1CC
InChIInChI=1S/C9H15NO/c1-4-7-5-9(7,10)8(11)6(2)3/h7H,2,4-5,10H2,1,3H3/t7-,9-/m1/s1
InChIKeySBGOIXZSHKCGEB-VXNVDRBHSA-N
MW153.22 g/mol
LogP1.26
Rot. Bonds3

About 1-[(1R,2R)-1-amino-2-ethylcyclopropyl]-2-methylprop-2-en-1-one

1-[(1R,2R)-1-amino-2-ethylcyclopropyl]-2-methylprop-2-en-1-one (PubChem CID 89079632) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-[(1R,2R)-1-amino-2-ethylcyclopropyl]-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-[(1R,2R)-1-amino-2-ethylcyclopropyl]-2-methylprop-2-en-1-one
PubChem CID89079632
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-[(1R,2R)-1-amino-2-ethylcyclopropyl]-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)[C@@]1(N)C[C@H]1CC
InChIInChI=1S/C9H15NO/c1-4-7-5-9(7,10)8(11)6(2)3/h7H,2,4-5,10H2,1,3H3/t7-,9-/m1/s1
InChIKeySBGOIXZSHKCGEB-VXNVDRBHSA-N
XLogP1.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-1-amino-2-ethylcyclopropyl]-2-methylprop-2-en-1-one?
The IUPAC name of 1-[(1R,2R)-1-amino-2-ethylcyclopropyl]-2-methylprop-2-en-1-one (CID 89079632) is 1-[(1R,2R)-1-amino-2-ethylcyclopropyl]-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-[(1R,2R)-1-amino-2-ethylcyclopropyl]-2-methylprop-2-en-1-one?
The canonical SMILES for 1-[(1R,2R)-1-amino-2-ethylcyclopropyl]-2-methylprop-2-en-1-one is C=C(C)C(=O)[C@@]1(N)C[C@H]1CC.
What is the InChIKey of 1-[(1R,2R)-1-amino-2-ethylcyclopropyl]-2-methylprop-2-en-1-one?
The InChIKey is SBGOIXZSHKCGEB-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-7-5-9(7,10)8(11)6(2)3/h7H,2,4-5,10H2,1,3H3/t7-,9-/m1/s1.
What are the key properties of 1-[(1R,2R)-1-amino-2-ethylcyclopropyl]-2-methylprop-2-en-1-one?
1-[(1R,2R)-1-amino-2-ethylcyclopropyl]-2-methylprop-2-en-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-1-amino-2-ethylcyclopropyl]-2-methylprop-2-en-1-one is sourced from PubChem (CID 89079632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).