N-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]-N-methylformamide

C10H16FNO — CID 134579310

IUPACN-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]-N-methylformamide
SMILESC/C=C(/F)C(CN(C)C=O)=C(C)C
InChIInChI=1S/C10H16FNO/c1-5-10(11)9(8(2)3)6-12(4)7-13/h5,7H,6H2,1-4H3/b10-5+
InChIKeyYLHZPUJRQZPZOF-BJMVGYQFSA-N
MW185.24 g/mol
LogP2.28
Rot. Bonds4

About N-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]-N-methylformamide

N-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]-N-methylformamide (PubChem CID 134579310) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is N-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]-N-methylformamide
PubChem CID134579310
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC NameN-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]-N-methylformamide
SMILESC/C=C(/F)C(CN(C)C=O)=C(C)C
InChIInChI=1S/C10H16FNO/c1-5-10(11)9(8(2)3)6-12(4)7-13/h5,7H,6H2,1-4H3/b10-5+
InChIKeyYLHZPUJRQZPZOF-BJMVGYQFSA-N
XLogP2.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]-N-methylformamide?
The IUPAC name of N-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]-N-methylformamide (CID 134579310) is N-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]-N-methylformamide.
What is the SMILES notation for N-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]-N-methylformamide?
The canonical SMILES for N-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]-N-methylformamide is C/C=C(/F)C(CN(C)C=O)=C(C)C.
What is the InChIKey of N-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]-N-methylformamide?
The InChIKey is YLHZPUJRQZPZOF-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H16FNO/c1-5-10(11)9(8(2)3)6-12(4)7-13/h5,7H,6H2,1-4H3/b10-5+.
What are the key properties of N-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]-N-methylformamide?
N-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]-N-methylformamide has a molecular weight of 185.24 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]-N-methylformamide is sourced from PubChem (CID 134579310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).