(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pent-4-ynylidene]hydroxylamine

C11H16N2O — CID 15085520

IUPAC(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pent-4-ynylidene]hydroxylamine
SMILESC#CCC/C(=N\O)C1=CCCN(C)C1
InChIInChI=1S/C11H16N2O/c1-3-4-7-11(12-14)10-6-5-8-13(2)9-10/h1,6,14H,4-5,7-9H2,2H3/b12-11+
InChIKeyMNDHXOWMNCFTGK-VAWYXSNFSA-N
MW192.26 g/mol
LogP1.49
Rot. Bonds3

About (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pent-4-ynylidene]hydroxylamine

(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pent-4-ynylidene]hydroxylamine (PubChem CID 15085520) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pent-4-ynylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pent-4-ynylidene]hydroxylamine
PubChem CID15085520
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pent-4-ynylidene]hydroxylamine
SMILESC#CCC/C(=N\O)C1=CCCN(C)C1
InChIInChI=1S/C11H16N2O/c1-3-4-7-11(12-14)10-6-5-8-13(2)9-10/h1,6,14H,4-5,7-9H2,2H3/b12-11+
InChIKeyMNDHXOWMNCFTGK-VAWYXSNFSA-N
XLogP1.49
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pent-4-ynylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pent-4-ynylidene]hydroxylamine (CID 15085520) is (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pent-4-ynylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pent-4-ynylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pent-4-ynylidene]hydroxylamine is C#CCC/C(=N\O)C1=CCCN(C)C1.
What is the InChIKey of (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pent-4-ynylidene]hydroxylamine?
The InChIKey is MNDHXOWMNCFTGK-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-4-7-11(12-14)10-6-5-8-13(2)9-10/h1,6,14H,4-5,7-9H2,2H3/b12-11+.
What are the key properties of (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pent-4-ynylidene]hydroxylamine?
(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pent-4-ynylidene]hydroxylamine has a molecular weight of 192.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pent-4-ynylidene]hydroxylamine is sourced from PubChem (CID 15085520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).