1-[1-(1-fluorocyclopropyl)ethenyl]-3-methylpyrrolidine

C10H16FN — CID 170768714

IUPAC1-[1-(1-fluorocyclopropyl)ethenyl]-3-methylpyrrolidine
SMILESC=C(N1CCC(C)C1)C1(F)CC1
InChIInChI=1S/C10H16FN/c1-8-3-6-12(7-8)9(2)10(11)4-5-10/h8H,2-7H2,1H3
InChIKeyPPRVPHOJTCKDSI-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.34
Rot. Bonds2

About 1-[1-(1-fluorocyclopropyl)ethenyl]-3-methylpyrrolidine

1-[1-(1-fluorocyclopropyl)ethenyl]-3-methylpyrrolidine (PubChem CID 170768714) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 1-[1-(1-fluorocyclopropyl)ethenyl]-3-methylpyrrolidine.

Molecular Properties

Compound Name1-[1-(1-fluorocyclopropyl)ethenyl]-3-methylpyrrolidine
PubChem CID170768714
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name1-[1-(1-fluorocyclopropyl)ethenyl]-3-methylpyrrolidine
SMILESC=C(N1CCC(C)C1)C1(F)CC1
InChIInChI=1S/C10H16FN/c1-8-3-6-12(7-8)9(2)10(11)4-5-10/h8H,2-7H2,1H3
InChIKeyPPRVPHOJTCKDSI-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-fluorocyclopropyl)ethenyl]-3-methylpyrrolidine?
The IUPAC name of 1-[1-(1-fluorocyclopropyl)ethenyl]-3-methylpyrrolidine (CID 170768714) is 1-[1-(1-fluorocyclopropyl)ethenyl]-3-methylpyrrolidine.
What is the SMILES notation for 1-[1-(1-fluorocyclopropyl)ethenyl]-3-methylpyrrolidine?
The canonical SMILES for 1-[1-(1-fluorocyclopropyl)ethenyl]-3-methylpyrrolidine is C=C(N1CCC(C)C1)C1(F)CC1.
What is the InChIKey of 1-[1-(1-fluorocyclopropyl)ethenyl]-3-methylpyrrolidine?
The InChIKey is PPRVPHOJTCKDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-8-3-6-12(7-8)9(2)10(11)4-5-10/h8H,2-7H2,1H3.
What are the key properties of 1-[1-(1-fluorocyclopropyl)ethenyl]-3-methylpyrrolidine?
1-[1-(1-fluorocyclopropyl)ethenyl]-3-methylpyrrolidine has a molecular weight of 169.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-fluorocyclopropyl)ethenyl]-3-methylpyrrolidine is sourced from PubChem (CID 170768714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).