N-[1-(hydroxymethyl)cyclopropyl]-2-propan-2-yloxyacetamide

C9H17NO3 — CID 115877554

IUPACN-[1-(hydroxymethyl)cyclopropyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NC1(CO)CC1
InChIInChI=1S/C9H17NO3/c1-7(2)13-5-8(12)10-9(6-11)3-4-9/h7,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyDFSRUVXJXHTPDQ-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.05
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclopropyl]-2-propan-2-yloxyacetamide

N-[1-(hydroxymethyl)cyclopropyl]-2-propan-2-yloxyacetamide (PubChem CID 115877554) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-2-propan-2-yloxyacetamide
PubChem CID115877554
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NC1(CO)CC1
InChIInChI=1S/C9H17NO3/c1-7(2)13-5-8(12)10-9(6-11)3-4-9/h7,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyDFSRUVXJXHTPDQ-UHFFFAOYSA-N
XLogP0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-propan-2-yloxyacetamide (CID 115877554) is N-[1-(hydroxymethyl)cyclopropyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NC1(CO)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-2-propan-2-yloxyacetamide?
The InChIKey is DFSRUVXJXHTPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)13-5-8(12)10-9(6-11)3-4-9/h7,11H,3-6H2,1-2H3,(H,10,12).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-2-propan-2-yloxyacetamide?
N-[1-(hydroxymethyl)cyclopropyl]-2-propan-2-yloxyacetamide has a molecular weight of 187.24 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 115877554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).