4H-pyran-4-amine

C5H7NO — CID 172738685

IUPAC4H-pyran-4-amine
SMILESNC1C=COC=C1
InChIInChI=1S/C5H7NO/c6-5-1-3-7-4-2-5/h1-5H,6H2
InChIKeyIUGFDFCFAMCRCQ-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.37
Rot. Bonds

About 4H-pyran-4-amine

4H-pyran-4-amine (PubChem CID 172738685) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 4H-pyran-4-amine.

Molecular Properties

Compound Name4H-pyran-4-amine
PubChem CID172738685
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name4H-pyran-4-amine
SMILESNC1C=COC=C1
InChIInChI=1S/C5H7NO/c6-5-1-3-7-4-2-5/h1-5H,6H2
InChIKeyIUGFDFCFAMCRCQ-UHFFFAOYSA-N
XLogP0.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-3,4-dihydro-2h-pyran
CID 55285439
3-Amino dihydropyran
CID 129861481
(E)-4-[(E)-3-aminobut-1-enoxy]but-3-en-2-amine
CID 87786175
(2R)-4-methoxybut-3-en-2-amine;hydrochloride
CID 90034670
2,3-Dihydrofuran-3-amine
CID 131082430
4-(3-Aminobut-1-enoxy)but-3-en-2-amine
CID 149887917
4H-pyran-4-ylazaniumylideneazanide
CID 164035293
4-Methoxybut-3-en-2-amine
CID 173965330
2-methylidene-3H-furan-3-amine
CID 174484729
3,4-Dihydro-1,2-dioxin-4-amine
CID 177985289
(2R)-4-methoxybut-3-en-2-amine
CID 90034671
(E)-4-methoxybut-3-en-2-amine
CID 102462739

Frequently Asked Questions

What is the IUPAC name of 4H-pyran-4-amine?
The IUPAC name of 4H-pyran-4-amine (CID 172738685) is 4H-pyran-4-amine.
What is the SMILES notation for 4H-pyran-4-amine?
The canonical SMILES for 4H-pyran-4-amine is NC1C=COC=C1.
What is the InChIKey of 4H-pyran-4-amine?
The InChIKey is IUGFDFCFAMCRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c6-5-1-3-7-4-2-5/h1-5H,6H2.
What are the key properties of 4H-pyran-4-amine?
4H-pyran-4-amine has a molecular weight of 97.12 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyran-4-amine is sourced from PubChem (CID 172738685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).