N-(4-fluoro-1-methylpyrrolidin-3-yl)prop-2-enamide

C8H13FN2O — CID 155030598

IUPACN-(4-fluoro-1-methylpyrrolidin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CN(C)CC1F
InChIInChI=1S/C8H13FN2O/c1-3-8(12)10-7-5-11(2)4-6(7)9/h3,6-7H,1,4-5H2,2H3,(H,10,12)
InChIKeyASZVVSIVOWFLBL-UHFFFAOYSA-N
MW172.20 g/mol
LogP-0.06
Rot. Bonds2

About N-(4-fluoro-1-methylpyrrolidin-3-yl)prop-2-enamide

N-(4-fluoro-1-methylpyrrolidin-3-yl)prop-2-enamide (PubChem CID 155030598) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is N-(4-fluoro-1-methylpyrrolidin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-fluoro-1-methylpyrrolidin-3-yl)prop-2-enamide
PubChem CID155030598
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC NameN-(4-fluoro-1-methylpyrrolidin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CN(C)CC1F
InChIInChI=1S/C8H13FN2O/c1-3-8(12)10-7-5-11(2)4-6(7)9/h3,6-7H,1,4-5H2,2H3,(H,10,12)
InChIKeyASZVVSIVOWFLBL-UHFFFAOYSA-N
XLogP-0.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Dimethylaminopropyl acrylamide
CID 21707846
(R)-1-(3-Aminopyrrolidin-1-yl)prop-2-en-1-one
CID 94339940
1-[(3S,4S)-4-aminopyrrolidin-3-yl]-5-fluoropyridin-2-one
CID 66693163
1-(4-Aminopyrrolidin-3-yl)-5-fluoropyridin-2-one
CID 66693164
1-[(3R,4R)-4-aminopyrrolidin-3-yl]-5-fluoropyridin-2-one
CID 66693165
N-(1-ethylpyrrolidin-3-yl)-2-fluoroacetamide
CID 68250360
N-(1-tert-butyl-4-fluoropyrrolidin-3-yl)prop-2-enamide
CID 146367147
1-(4-Amino-3,3-difluoropyrrolidin-1-yl)prop-2-en-1-one
CID 146504206
(4,4-Difluoro-1-prop-2-enoylpyrrolidin-3-yl)carbamic acid
CID 146504224
(E)-4-(3-fluoropyrrolidin-1-yl)-N-propan-2-ylbut-2-enamide
CID 162375531
(E)-N-butan-2-yl-4-(3,3-difluoropyrrolidin-1-yl)but-2-enamide;molecular hydrogen
CID 162375538
(E)-4-(3,3-difluoropyrrolidin-1-yl)-N-propan-2-ylbut-2-enamide
CID 162376097

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1-methylpyrrolidin-3-yl)prop-2-enamide?
The IUPAC name of N-(4-fluoro-1-methylpyrrolidin-3-yl)prop-2-enamide (CID 155030598) is N-(4-fluoro-1-methylpyrrolidin-3-yl)prop-2-enamide.
What is the SMILES notation for N-(4-fluoro-1-methylpyrrolidin-3-yl)prop-2-enamide?
The canonical SMILES for N-(4-fluoro-1-methylpyrrolidin-3-yl)prop-2-enamide is C=CC(=O)NC1CN(C)CC1F.
What is the InChIKey of N-(4-fluoro-1-methylpyrrolidin-3-yl)prop-2-enamide?
The InChIKey is ASZVVSIVOWFLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-3-8(12)10-7-5-11(2)4-6(7)9/h3,6-7H,1,4-5H2,2H3,(H,10,12).
What are the key properties of N-(4-fluoro-1-methylpyrrolidin-3-yl)prop-2-enamide?
N-(4-fluoro-1-methylpyrrolidin-3-yl)prop-2-enamide has a molecular weight of 172.20 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1-methylpyrrolidin-3-yl)prop-2-enamide is sourced from PubChem (CID 155030598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).