N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[(2R)-3,3-difluorooxolan-2-yl]formamide

C9H13F2N3O2 — CID 88964988

IUPACN-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[(2R)-3,3-difluorooxolan-2-yl]formamide
SMILESC/N=C(N)/C=C\N(C=O)[C@@H]1OCCC1(F)F
InChIInChI=1S/C9H13F2N3O2/c1-13-7(12)2-4-14(6-15)8-9(10,11)3-5-16-8/h2,4,6,8H,3,5H2,1H3,(H2,12,13)/b4-2-/t8-/m1/s1
InChIKeyOLOAKIQEQJDICY-DLRBJTRDSA-N
MW233.22 g/mol
LogP0.33
Rot. Bonds4

About N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[(2R)-3,3-difluorooxolan-2-yl]formamide

N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[(2R)-3,3-difluorooxolan-2-yl]formamide (PubChem CID 88964988) has the molecular formula C9H13F2N3O2 and a molecular weight of 233.22 g/mol. Its IUPAC name is N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[(2R)-3,3-difluorooxolan-2-yl]formamide.

Molecular Properties

Compound NameN-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[(2R)-3,3-difluorooxolan-2-yl]formamide
PubChem CID88964988
Molecular FormulaC9H13F2N3O2
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC NameN-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[(2R)-3,3-difluorooxolan-2-yl]formamide
SMILESC/N=C(N)/C=C\N(C=O)[C@@H]1OCCC1(F)F
InChIInChI=1S/C9H13F2N3O2/c1-13-7(12)2-4-14(6-15)8-9(10,11)3-5-16-8/h2,4,6,8H,3,5H2,1H3,(H2,12,13)/b4-2-/t8-/m1/s1
InChIKeyOLOAKIQEQJDICY-DLRBJTRDSA-N
XLogP0.33
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.33
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[(2R)-3,3-difluorooxolan-2-yl]formamide?
The IUPAC name of N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[(2R)-3,3-difluorooxolan-2-yl]formamide (CID 88964988) is N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[(2R)-3,3-difluorooxolan-2-yl]formamide.
What is the SMILES notation for N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[(2R)-3,3-difluorooxolan-2-yl]formamide?
The canonical SMILES for N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[(2R)-3,3-difluorooxolan-2-yl]formamide is C/N=C(N)/C=C\N(C=O)[C@@H]1OCCC1(F)F.
What is the InChIKey of N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[(2R)-3,3-difluorooxolan-2-yl]formamide?
The InChIKey is OLOAKIQEQJDICY-DLRBJTRDSA-N. The full InChI is InChI=1S/C9H13F2N3O2/c1-13-7(12)2-4-14(6-15)8-9(10,11)3-5-16-8/h2,4,6,8H,3,5H2,1H3,(H2,12,13)/b4-2-/t8-/m1/s1.
What are the key properties of N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[(2R)-3,3-difluorooxolan-2-yl]formamide?
N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[(2R)-3,3-difluorooxolan-2-yl]formamide has a molecular weight of 233.22 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[(2R)-3,3-difluorooxolan-2-yl]formamide is sourced from PubChem (CID 88964988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).