N-[(3-hydroxyoxolan-3-yl)methyl]butanamide

C9H17NO3 — CID 103848909

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]butanamide
SMILESCCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C9H17NO3/c1-2-3-8(11)10-6-9(12)4-5-13-7-9/h12H,2-7H2,1H3,(H,10,11)
InChIKeyPLQAQHPHMHSPCA-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.05
Rot. Bonds4

About N-[(3-hydroxyoxolan-3-yl)methyl]butanamide

N-[(3-hydroxyoxolan-3-yl)methyl]butanamide (PubChem CID 103848909) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]butanamide
PubChem CID103848909
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]butanamide
SMILESCCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C9H17NO3/c1-2-3-8(11)10-6-9(12)4-5-13-7-9/h12H,2-7H2,1H3,(H,10,11)
InChIKeyPLQAQHPHMHSPCA-UHFFFAOYSA-N
XLogP0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[(3-hydroxyoxolan-3-yl)methyl]butanamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]butanamide (CID 103848909) is N-[(3-hydroxyoxolan-3-yl)methyl]butanamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]butanamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]butanamide is CCCC(=O)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]butanamide?
The InChIKey is PLQAQHPHMHSPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-3-8(11)10-6-9(12)4-5-13-7-9/h12H,2-7H2,1H3,(H,10,11).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]butanamide?
N-[(3-hydroxyoxolan-3-yl)methyl]butanamide has a molecular weight of 187.24 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]butanamide is sourced from PubChem (CID 103848909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).