N-[1-(hydroxymethyl)cyclopropyl]-2-oxopropanamide

C7H11NO3 — CID 139551842

IUPACN-[1-(hydroxymethyl)cyclopropyl]-2-oxopropanamide
SMILESCC(=O)C(=O)NC1(CO)CC1
InChIInChI=1S/C7H11NO3/c1-5(10)6(11)8-7(4-9)2-3-7/h9H,2-4H2,1H3,(H,8,11)
InChIKeyHFLAVHSCQFCPDA-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.78
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopropyl]-2-oxopropanamide

N-[1-(hydroxymethyl)cyclopropyl]-2-oxopropanamide (PubChem CID 139551842) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-2-oxopropanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-2-oxopropanamide
PubChem CID139551842
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-2-oxopropanamide
SMILESCC(=O)C(=O)NC1(CO)CC1
InChIInChI=1S/C7H11NO3/c1-5(10)6(11)8-7(4-9)2-3-7/h9H,2-4H2,1H3,(H,8,11)
InChIKeyHFLAVHSCQFCPDA-UHFFFAOYSA-N
XLogP-0.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-oxopropanamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-oxopropanamide (CID 139551842) is N-[1-(hydroxymethyl)cyclopropyl]-2-oxopropanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-2-oxopropanamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-2-oxopropanamide is CC(=O)C(=O)NC1(CO)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-2-oxopropanamide?
The InChIKey is HFLAVHSCQFCPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5(10)6(11)8-7(4-9)2-3-7/h9H,2-4H2,1H3,(H,8,11).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-2-oxopropanamide?
N-[1-(hydroxymethyl)cyclopropyl]-2-oxopropanamide has a molecular weight of 157.17 g/mol, XLogP of -0.78, 3 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-oxopropanamide is sourced from PubChem (CID 139551842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).