(4Z)-4-(fluoromethylidene)-2-propylpyrrolidine-1-carbaldehyde

C9H14FNO — CID 170423198

IUPAC(4Z)-4-(fluoromethylidene)-2-propylpyrrolidine-1-carbaldehyde
SMILESCCCC1C/C(=C/F)CN1C=O
InChIInChI=1S/C9H14FNO/c1-2-3-9-4-8(5-10)6-11(9)7-12/h5,7,9H,2-4,6H2,1H3/b8-5-
InChIKeyPCYLLGWCHBWAAL-YVMONPNESA-N
MW171.22 g/mol
LogP1.87
Rot. Bonds3

About (4Z)-4-(fluoromethylidene)-2-propylpyrrolidine-1-carbaldehyde

(4Z)-4-(fluoromethylidene)-2-propylpyrrolidine-1-carbaldehyde (PubChem CID 170423198) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is (4Z)-4-(fluoromethylidene)-2-propylpyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name(4Z)-4-(fluoromethylidene)-2-propylpyrrolidine-1-carbaldehyde
PubChem CID170423198
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name(4Z)-4-(fluoromethylidene)-2-propylpyrrolidine-1-carbaldehyde
SMILESCCCC1C/C(=C/F)CN1C=O
InChIInChI=1S/C9H14FNO/c1-2-3-9-4-8(5-10)6-11(9)7-12/h5,7,9H,2-4,6H2,1H3/b8-5-
InChIKeyPCYLLGWCHBWAAL-YVMONPNESA-N
XLogP1.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(fluoromethylidene)-2-propylpyrrolidine-1-carbaldehyde?
The IUPAC name of (4Z)-4-(fluoromethylidene)-2-propylpyrrolidine-1-carbaldehyde (CID 170423198) is (4Z)-4-(fluoromethylidene)-2-propylpyrrolidine-1-carbaldehyde.
What is the SMILES notation for (4Z)-4-(fluoromethylidene)-2-propylpyrrolidine-1-carbaldehyde?
The canonical SMILES for (4Z)-4-(fluoromethylidene)-2-propylpyrrolidine-1-carbaldehyde is CCCC1C/C(=C/F)CN1C=O.
What is the InChIKey of (4Z)-4-(fluoromethylidene)-2-propylpyrrolidine-1-carbaldehyde?
The InChIKey is PCYLLGWCHBWAAL-YVMONPNESA-N. The full InChI is InChI=1S/C9H14FNO/c1-2-3-9-4-8(5-10)6-11(9)7-12/h5,7,9H,2-4,6H2,1H3/b8-5-.
What are the key properties of (4Z)-4-(fluoromethylidene)-2-propylpyrrolidine-1-carbaldehyde?
(4Z)-4-(fluoromethylidene)-2-propylpyrrolidine-1-carbaldehyde has a molecular weight of 171.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(fluoromethylidene)-2-propylpyrrolidine-1-carbaldehyde is sourced from PubChem (CID 170423198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).