N-[1-(3,6-dihydro-2H-pyridin-1-yl)ethylidene]hydroxylamine

C7H12N2O — CID 57310345

IUPACN-[1-(3,6-dihydro-2H-pyridin-1-yl)ethylidene]hydroxylamine
SMILESCC(=NO)N1CC=CCC1
InChIInChI=1S/C7H12N2O/c1-7(8-10)9-5-3-2-4-6-9/h2-3,10H,4-6H2,1H3
InChIKeyBSGFTTMIDRIUFA-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.06
Rot. Bonds

About N-[1-(3,6-dihydro-2H-pyridin-1-yl)ethylidene]hydroxylamine

N-[1-(3,6-dihydro-2H-pyridin-1-yl)ethylidene]hydroxylamine (PubChem CID 57310345) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-[1-(3,6-dihydro-2H-pyridin-1-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3,6-dihydro-2H-pyridin-1-yl)ethylidene]hydroxylamine
PubChem CID57310345
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-[1-(3,6-dihydro-2H-pyridin-1-yl)ethylidene]hydroxylamine
SMILESCC(=NO)N1CC=CCC1
InChIInChI=1S/C7H12N2O/c1-7(8-10)9-5-3-2-4-6-9/h2-3,10H,4-6H2,1H3
InChIKeyBSGFTTMIDRIUFA-UHFFFAOYSA-N
XLogP1.06
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,6-dihydro-2H-pyridin-1-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(3,6-dihydro-2H-pyridin-1-yl)ethylidene]hydroxylamine (CID 57310345) is N-[1-(3,6-dihydro-2H-pyridin-1-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3,6-dihydro-2H-pyridin-1-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(3,6-dihydro-2H-pyridin-1-yl)ethylidene]hydroxylamine is CC(=NO)N1CC=CCC1.
What is the InChIKey of N-[1-(3,6-dihydro-2H-pyridin-1-yl)ethylidene]hydroxylamine?
The InChIKey is BSGFTTMIDRIUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-7(8-10)9-5-3-2-4-6-9/h2-3,10H,4-6H2,1H3.
What are the key properties of N-[1-(3,6-dihydro-2H-pyridin-1-yl)ethylidene]hydroxylamine?
N-[1-(3,6-dihydro-2H-pyridin-1-yl)ethylidene]hydroxylamine has a molecular weight of 140.19 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,6-dihydro-2H-pyridin-1-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 57310345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).