N-prop-2-ynyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide

C9H11NO2 — CID 127009608

IUPACN-prop-2-ynyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESC#CCNC(=O)C1C2CCOC21
InChIInChI=1S/C9H11NO2/c1-2-4-10-9(11)7-6-3-5-12-8(6)7/h1,6-8H,3-5H2,(H,10,11)
InChIKeyYWYKSXZMAVIUSQ-UHFFFAOYSA-N
MW165.19 g/mol
LogP-0.23
Rot. Bonds2

About N-prop-2-ynyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide

N-prop-2-ynyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 127009608) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-prop-2-ynyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID127009608
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-prop-2-ynyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESC#CCNC(=O)C1C2CCOC21
InChIInChI=1S/C9H11NO2/c1-2-4-10-9(11)7-6-3-5-12-8(6)7/h1,6-8H,3-5H2,(H,10,11)
InChIKeyYWYKSXZMAVIUSQ-UHFFFAOYSA-N
XLogP-0.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-prop-2-ynyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide (CID 127009608) is N-prop-2-ynyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-prop-2-ynyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-prop-2-ynyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide is C#CCNC(=O)C1C2CCOC21.
What is the InChIKey of N-prop-2-ynyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is YWYKSXZMAVIUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-4-10-9(11)7-6-3-5-12-8(6)7/h1,6-8H,3-5H2,(H,10,11).
What are the key properties of N-prop-2-ynyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide?
N-prop-2-ynyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 165.19 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 127009608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).