N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybutanamide

C9H17NO3 — CID 115772394

IUPACN-[1-(hydroxymethyl)cyclopropyl]-4-methoxybutanamide
SMILESCOCCCC(=O)NC1(CO)CC1
InChIInChI=1S/C9H17NO3/c1-13-6-2-3-8(12)10-9(7-11)4-5-9/h11H,2-7H2,1H3,(H,10,12)
InChIKeyINRSRWXWTXFVMZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.05
Rot. Bonds6

About N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybutanamide

N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybutanamide (PubChem CID 115772394) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybutanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-4-methoxybutanamide
PubChem CID115772394
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-4-methoxybutanamide
SMILESCOCCCC(=O)NC1(CO)CC1
InChIInChI=1S/C9H17NO3/c1-13-6-2-3-8(12)10-9(7-11)4-5-9/h11H,2-7H2,1H3,(H,10,12)
InChIKeyINRSRWXWTXFVMZ-UHFFFAOYSA-N
XLogP0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybutanamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybutanamide (CID 115772394) is N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybutanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybutanamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybutanamide is COCCCC(=O)NC1(CO)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybutanamide?
The InChIKey is INRSRWXWTXFVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-13-6-2-3-8(12)10-9(7-11)4-5-9/h11H,2-7H2,1H3,(H,10,12).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybutanamide?
N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybutanamide has a molecular weight of 187.24 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybutanamide is sourced from PubChem (CID 115772394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).