3-amino-N-propyloxolane-3-carboxamide

C8H16N2O2 — CID 64891873

IUPAC3-amino-N-propyloxolane-3-carboxamide
SMILESCCCNC(=O)C1(N)CCOC1
InChIInChI=1S/C8H16N2O2/c1-2-4-10-7(11)8(9)3-5-12-6-8/h2-6,9H2,1H3,(H,10,11)
InChIKeyPJNFOMCIABICPD-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.37
Rot. Bonds3

About 3-amino-N-propyloxolane-3-carboxamide

3-amino-N-propyloxolane-3-carboxamide (PubChem CID 64891873) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-amino-N-propyloxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-propyloxolane-3-carboxamide
PubChem CID64891873
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-amino-N-propyloxolane-3-carboxamide
SMILESCCCNC(=O)C1(N)CCOC1
InChIInChI=1S/C8H16N2O2/c1-2-4-10-7(11)8(9)3-5-12-6-8/h2-6,9H2,1H3,(H,10,11)
InChIKeyPJNFOMCIABICPD-UHFFFAOYSA-N
XLogP-0.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propyloxolane-3-carboxamide?
The IUPAC name of 3-amino-N-propyloxolane-3-carboxamide (CID 64891873) is 3-amino-N-propyloxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-propyloxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-propyloxolane-3-carboxamide is CCCNC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-propyloxolane-3-carboxamide?
The InChIKey is PJNFOMCIABICPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-4-10-7(11)8(9)3-5-12-6-8/h2-6,9H2,1H3,(H,10,11).
What are the key properties of 3-amino-N-propyloxolane-3-carboxamide?
3-amino-N-propyloxolane-3-carboxamide has a molecular weight of 172.23 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propyloxolane-3-carboxamide is sourced from PubChem (CID 64891873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).