N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]formamide

C10H16FN3O3 — CID 144532442

IUPACN-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]formamide
SMILESC/N=C(N)/C=C\N(C=O)C1OC(CO)CC1F
InChIInChI=1S/C10H16FN3O3/c1-13-9(12)2-3-14(6-16)10-8(11)4-7(5-15)17-10/h2-3,6-8,10,15H,4-5H2,1H3,(H2,12,13)/b3-2-
InChIKeyBFDALFCSXIHZHR-IHWYPQMZSA-N
MW245.25 g/mol
LogP-0.61
Rot. Bonds5

About N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]formamide

N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]formamide (PubChem CID 144532442) has the molecular formula C10H16FN3O3 and a molecular weight of 245.25 g/mol. Its IUPAC name is N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]formamide.

Molecular Properties

Compound NameN-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]formamide
PubChem CID144532442
Molecular FormulaC10H16FN3O3
Molecular Weight245.25 g/mol
Exact Mass245.12
IUPAC NameN-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]formamide
SMILESC/N=C(N)/C=C\N(C=O)C1OC(CO)CC1F
InChIInChI=1S/C10H16FN3O3/c1-13-9(12)2-3-14(6-16)10-8(11)4-7(5-15)17-10/h2-3,6-8,10,15H,4-5H2,1H3,(H2,12,13)/b3-2-
InChIKeyBFDALFCSXIHZHR-IHWYPQMZSA-N
XLogP-0.61
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]formamide?
The IUPAC name of N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]formamide (CID 144532442) is N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]formamide.
What is the SMILES notation for N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]formamide?
The canonical SMILES for N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]formamide is C/N=C(N)/C=C\N(C=O)C1OC(CO)CC1F.
What is the InChIKey of N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]formamide?
The InChIKey is BFDALFCSXIHZHR-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H16FN3O3/c1-13-9(12)2-3-14(6-16)10-8(11)4-7(5-15)17-10/h2-3,6-8,10,15H,4-5H2,1H3,(H2,12,13)/b3-2-.
What are the key properties of N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]formamide?
N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]formamide has a molecular weight of 245.25 g/mol, XLogP of -0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]formamide is sourced from PubChem (CID 144532442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).