N-methylidene-N'-prop-1-en-2-yl-3,6-dihydro-2H-pyran-4-carboximidamide

C10H14N2O — CID 123511484

IUPACN-methylidene-N'-prop-1-en-2-yl-3,6-dihydro-2H-pyran-4-carboximidamide
SMILESC=N/C(=N\C(=C)C)C1=CCOCC1
InChIInChI=1S/C10H14N2O/c1-8(2)12-10(11-3)9-4-6-13-7-5-9/h4H,1,3,5-7H2,2H3/b12-10-
InChIKeyXPBOFNPYZSNHOR-BENRWUELSA-N
MW178.23 g/mol
LogP1.97
Rot. Bonds2

About N-methylidene-N'-prop-1-en-2-yl-3,6-dihydro-2H-pyran-4-carboximidamide

N-methylidene-N'-prop-1-en-2-yl-3,6-dihydro-2H-pyran-4-carboximidamide (PubChem CID 123511484) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-methylidene-N'-prop-1-en-2-yl-3,6-dihydro-2H-pyran-4-carboximidamide.

Molecular Properties

Compound NameN-methylidene-N'-prop-1-en-2-yl-3,6-dihydro-2H-pyran-4-carboximidamide
PubChem CID123511484
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-methylidene-N'-prop-1-en-2-yl-3,6-dihydro-2H-pyran-4-carboximidamide
SMILESC=N/C(=N\C(=C)C)C1=CCOCC1
InChIInChI=1S/C10H14N2O/c1-8(2)12-10(11-3)9-4-6-13-7-5-9/h4H,1,3,5-7H2,2H3/b12-10-
InChIKeyXPBOFNPYZSNHOR-BENRWUELSA-N
XLogP1.97
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-methylidene-N'-prop-1-en-2-yl-3,6-dihydro-2H-pyran-4-carboximidamide?
The IUPAC name of N-methylidene-N'-prop-1-en-2-yl-3,6-dihydro-2H-pyran-4-carboximidamide (CID 123511484) is N-methylidene-N'-prop-1-en-2-yl-3,6-dihydro-2H-pyran-4-carboximidamide.
What is the SMILES notation for N-methylidene-N'-prop-1-en-2-yl-3,6-dihydro-2H-pyran-4-carboximidamide?
The canonical SMILES for N-methylidene-N'-prop-1-en-2-yl-3,6-dihydro-2H-pyran-4-carboximidamide is C=N/C(=N\C(=C)C)C1=CCOCC1.
What is the InChIKey of N-methylidene-N'-prop-1-en-2-yl-3,6-dihydro-2H-pyran-4-carboximidamide?
The InChIKey is XPBOFNPYZSNHOR-BENRWUELSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(2)12-10(11-3)9-4-6-13-7-5-9/h4H,1,3,5-7H2,2H3/b12-10-.
What are the key properties of N-methylidene-N'-prop-1-en-2-yl-3,6-dihydro-2H-pyran-4-carboximidamide?
N-methylidene-N'-prop-1-en-2-yl-3,6-dihydro-2H-pyran-4-carboximidamide has a molecular weight of 178.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-prop-1-en-2-yl-3,6-dihydro-2H-pyran-4-carboximidamide is sourced from PubChem (CID 123511484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).