1-fluoro-N-prop-2-enylcyclopentane-1-carboxamide

C9H14FNO — CID 130742392

IUPAC1-fluoro-N-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CCNC(=O)C1(F)CCCC1
InChIInChI=1S/C9H14FNO/c1-2-7-11-8(12)9(10)5-3-4-6-9/h2H,1,3-7H2,(H,11,12)
InChIKeyNMEYTQODMALADR-UHFFFAOYSA-N
MW171.21 g/mol
LogP1.57
Rot. Bonds3

About 1-fluoro-N-prop-2-enylcyclopentane-1-carboxamide

1-fluoro-N-prop-2-enylcyclopentane-1-carboxamide (PubChem CID 130742392) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is 1-fluoro-N-prop-2-enylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-prop-2-enylcyclopentane-1-carboxamide
PubChem CID130742392
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name1-fluoro-N-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CCNC(=O)C1(F)CCCC1
InChIInChI=1S/C9H14FNO/c1-2-7-11-8(12)9(10)5-3-4-6-9/h2H,1,3-7H2,(H,11,12)
InChIKeyNMEYTQODMALADR-UHFFFAOYSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-prop-2-enylcyclopentane-1-carboxamide?
The IUPAC name of 1-fluoro-N-prop-2-enylcyclopentane-1-carboxamide (CID 130742392) is 1-fluoro-N-prop-2-enylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-fluoro-N-prop-2-enylcyclopentane-1-carboxamide?
The canonical SMILES for 1-fluoro-N-prop-2-enylcyclopentane-1-carboxamide is C=CCNC(=O)C1(F)CCCC1.
What is the InChIKey of 1-fluoro-N-prop-2-enylcyclopentane-1-carboxamide?
The InChIKey is NMEYTQODMALADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-2-7-11-8(12)9(10)5-3-4-6-9/h2H,1,3-7H2,(H,11,12).
What are the key properties of 1-fluoro-N-prop-2-enylcyclopentane-1-carboxamide?
1-fluoro-N-prop-2-enylcyclopentane-1-carboxamide has a molecular weight of 171.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-prop-2-enylcyclopentane-1-carboxamide is sourced from PubChem (CID 130742392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).