N-prop-2-ynylcyclopropanecarboxamide

C7H9NO — CID 22404716

IUPACN-prop-2-ynylcyclopropanecarboxamide
SMILESC#CCNC(=O)C1CC1
InChIInChI=1S/C7H9NO/c1-2-5-8-7(9)6-3-4-6/h1,6H,3-5H2,(H,8,9)
InChIKeyFYDSENXDPXGXEX-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.15
Rot. Bonds2

About N-prop-2-ynylcyclopropanecarboxamide

N-prop-2-ynylcyclopropanecarboxamide (PubChem CID 22404716) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is N-prop-2-ynylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-prop-2-ynylcyclopropanecarboxamide
PubChem CID22404716
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC NameN-prop-2-ynylcyclopropanecarboxamide
SMILESC#CCNC(=O)C1CC1
InChIInChI=1S/C7H9NO/c1-2-5-8-7(9)6-3-4-6/h1,6H,3-5H2,(H,8,9)
InChIKeyFYDSENXDPXGXEX-UHFFFAOYSA-N
XLogP0.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ynylcyclopropanecarboxamide?
The IUPAC name of N-prop-2-ynylcyclopropanecarboxamide (CID 22404716) is N-prop-2-ynylcyclopropanecarboxamide.
What is the SMILES notation for N-prop-2-ynylcyclopropanecarboxamide?
The canonical SMILES for N-prop-2-ynylcyclopropanecarboxamide is C#CCNC(=O)C1CC1.
What is the InChIKey of N-prop-2-ynylcyclopropanecarboxamide?
The InChIKey is FYDSENXDPXGXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-5-8-7(9)6-3-4-6/h1,6H,3-5H2,(H,8,9).
What are the key properties of N-prop-2-ynylcyclopropanecarboxamide?
N-prop-2-ynylcyclopropanecarboxamide has a molecular weight of 123.15 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylcyclopropanecarboxamide is sourced from PubChem (CID 22404716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).