N-propyl-1,3-dioxole-4-carboxamide

C7H11NO3 — CID 69149677

IUPACN-propyl-1,3-dioxole-4-carboxamide
SMILESCCCNC(=O)C1=COCO1
InChIInChI=1S/C7H11NO3/c1-2-3-8-7(9)6-4-10-5-11-6/h4H,2-3,5H2,1H3,(H,8,9)
InChIKeyQNRVTHWHZQMVAD-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.36
Rot. Bonds3

About N-propyl-1,3-dioxole-4-carboxamide

N-propyl-1,3-dioxole-4-carboxamide (PubChem CID 69149677) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is N-propyl-1,3-dioxole-4-carboxamide.

Molecular Properties

Compound NameN-propyl-1,3-dioxole-4-carboxamide
PubChem CID69149677
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC NameN-propyl-1,3-dioxole-4-carboxamide
SMILESCCCNC(=O)C1=COCO1
InChIInChI=1S/C7H11NO3/c1-2-3-8-7(9)6-4-10-5-11-6/h4H,2-3,5H2,1H3,(H,8,9)
InChIKeyQNRVTHWHZQMVAD-UHFFFAOYSA-N
XLogP0.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-propylacrylamide
CID 55287359
N-(methoxymethyl)-1,3-dioxole-4-carboxamide
CID 54096602
N-butyl-2,3-dimethoxyprop-2-enamide
CID 54199126
N-ethyl-1,3-dioxole-4-carboxamide
CID 54280660
N-(2-oxobutyl)-1,3-dioxole-4-carboxamide
CID 56608747
N-ethyl-N-methyl-1,3-dioxole-4-carboxamide
CID 69702431
N-cyclopentyl-1,3-dioxole-4-carboxamide
CID 69702617
N-methyl-N-propyl-1,3-dioxole-4-carboxamide
CID 69703855
N,N-dipropyl-1,3-dioxole-4-carboxamide
CID 91312485
N-(1,3-dioxol-4-ylmethyl)acetamide
CID 141171898
N-butyl-2-oxo-1,3-dioxole-4-carboxamide
CID 141421527
N,2,2-trimethyl-1,3-dioxole-4-carboxamide
CID 141505201

Frequently Asked Questions

What is the IUPAC name of N-propyl-1,3-dioxole-4-carboxamide?
The IUPAC name of N-propyl-1,3-dioxole-4-carboxamide (CID 69149677) is N-propyl-1,3-dioxole-4-carboxamide.
What is the SMILES notation for N-propyl-1,3-dioxole-4-carboxamide?
The canonical SMILES for N-propyl-1,3-dioxole-4-carboxamide is CCCNC(=O)C1=COCO1.
What is the InChIKey of N-propyl-1,3-dioxole-4-carboxamide?
The InChIKey is QNRVTHWHZQMVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-3-8-7(9)6-4-10-5-11-6/h4H,2-3,5H2,1H3,(H,8,9).
What are the key properties of N-propyl-1,3-dioxole-4-carboxamide?
N-propyl-1,3-dioxole-4-carboxamide has a molecular weight of 157.17 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1,3-dioxole-4-carboxamide is sourced from PubChem (CID 69149677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).