N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(5-methyloxolan-2-yl)formamide

C10H16FN3O2 — CID 143827353

IUPACN-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(5-methyloxolan-2-yl)formamide
SMILESC/N=C(N)/C(F)=C\N(C=O)C1CCC(C)O1
InChIInChI=1S/C10H16FN3O2/c1-7-3-4-9(16-7)14(6-15)5-8(11)10(12)13-2/h5-7,9H,3-4H2,1-2H3,(H2,12,13)/b8-5+
InChIKeyLDIVWZKDYGITBG-VMPITWQZSA-N
MW229.26 g/mol
LogP0.77
Rot. Bonds4

About N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(5-methyloxolan-2-yl)formamide

N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(5-methyloxolan-2-yl)formamide (PubChem CID 143827353) has the molecular formula C10H16FN3O2 and a molecular weight of 229.26 g/mol. Its IUPAC name is N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(5-methyloxolan-2-yl)formamide.

Molecular Properties

Compound NameN-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(5-methyloxolan-2-yl)formamide
PubChem CID143827353
Molecular FormulaC10H16FN3O2
Molecular Weight229.26 g/mol
Exact Mass229.12
IUPAC NameN-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(5-methyloxolan-2-yl)formamide
SMILESC/N=C(N)/C(F)=C\N(C=O)C1CCC(C)O1
InChIInChI=1S/C10H16FN3O2/c1-7-3-4-9(16-7)14(6-15)5-8(11)10(12)13-2/h5-7,9H,3-4H2,1-2H3,(H2,12,13)/b8-5+
InChIKeyLDIVWZKDYGITBG-VMPITWQZSA-N
XLogP0.77
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-fluoro-1-[(2R,3R,4S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-2-one
CID 57827111
4-Amino-5-fluoro-1-(3,4,5-trimethyloxolan-2-yl)pyrimidin-2-one
CID 58538495
4-amino-5-fluoro-1-[(2R,4R,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-2-one
CID 59510445
4-amino-5-fluoro-1-[(2R,3S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-2-one
CID 59510446
4-amino-5-fluoro-1-[(2R,5S)-5-(pentoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 66741332
4-amino-5-fluoro-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 67764139
pentyl N-[5-fluoro-1-[(2R,5R)-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 70793655
pentyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate
CID 70834934
4-amino-5-fluoro-1-[(2R)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 70882467
4-Amino-5-fluoro-1-(5-methyloxolan-2-yl)pyrimidin-2-one
CID 70885363
N-(3-amino-2-fluoro-3-methyliminoprop-1-enyl)-N-(5-methyl-3-methylideneoxolan-2-yl)formamide
CID 91365016
4-Amino-5-fluoro-1-(3-fluoro-3,5-dimethyloxolan-2-yl)pyrimidin-2-one
CID 129280547

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(5-methyloxolan-2-yl)formamide?
The IUPAC name of N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(5-methyloxolan-2-yl)formamide (CID 143827353) is N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(5-methyloxolan-2-yl)formamide.
What is the SMILES notation for N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(5-methyloxolan-2-yl)formamide?
The canonical SMILES for N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(5-methyloxolan-2-yl)formamide is C/N=C(N)/C(F)=C\N(C=O)C1CCC(C)O1.
What is the InChIKey of N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(5-methyloxolan-2-yl)formamide?
The InChIKey is LDIVWZKDYGITBG-VMPITWQZSA-N. The full InChI is InChI=1S/C10H16FN3O2/c1-7-3-4-9(16-7)14(6-15)5-8(11)10(12)13-2/h5-7,9H,3-4H2,1-2H3,(H2,12,13)/b8-5+.
What are the key properties of N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(5-methyloxolan-2-yl)formamide?
N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(5-methyloxolan-2-yl)formamide has a molecular weight of 229.26 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(5-methyloxolan-2-yl)formamide is sourced from PubChem (CID 143827353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).