(NE)-N-[3-[(E)-prop-1-enyl]iminopentan-2-ylidene]hydroxylamine

C8H14N2O — CID 137315980

IUPAC(NE)-N-[3-[(E)-prop-1-enyl]iminopentan-2-ylidene]hydroxylamine
SMILESC/C=C/N=C(CC)/C(C)=N/O
InChIInChI=1S/C8H14N2O/c1-4-6-9-8(5-2)7(3)10-11/h4,6,11H,5H2,1-3H3/b6-4+,9-8+,10-7+
InChIKeyCFNZSIJTYDDXCO-YFDRZOHNSA-N
MW154.21 g/mol
LogP2.22
Rot. Bonds3

About (NE)-N-[3-[(E)-prop-1-enyl]iminopentan-2-ylidene]hydroxylamine

(NE)-N-[3-[(E)-prop-1-enyl]iminopentan-2-ylidene]hydroxylamine (PubChem CID 137315980) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (NE)-N-[3-[(E)-prop-1-enyl]iminopentan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-[(E)-prop-1-enyl]iminopentan-2-ylidene]hydroxylamine
PubChem CID137315980
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(NE)-N-[3-[(E)-prop-1-enyl]iminopentan-2-ylidene]hydroxylamine
SMILESC/C=C/N=C(CC)/C(C)=N/O
InChIInChI=1S/C8H14N2O/c1-4-6-9-8(5-2)7(3)10-11/h4,6,11H,5H2,1-3H3/b6-4+,9-8+,10-7+
InChIKeyCFNZSIJTYDDXCO-YFDRZOHNSA-N
XLogP2.22
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (NE)-N-[3-[(E)-prop-1-enyl]iminopentan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-[(E)-prop-1-enyl]iminopentan-2-ylidene]hydroxylamine (CID 137315980) is (NE)-N-[3-[(E)-prop-1-enyl]iminopentan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-[(E)-prop-1-enyl]iminopentan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-[(E)-prop-1-enyl]iminopentan-2-ylidene]hydroxylamine is C/C=C/N=C(CC)/C(C)=N/O.
What is the InChIKey of (NE)-N-[3-[(E)-prop-1-enyl]iminopentan-2-ylidene]hydroxylamine?
The InChIKey is CFNZSIJTYDDXCO-YFDRZOHNSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-6-9-8(5-2)7(3)10-11/h4,6,11H,5H2,1-3H3/b6-4+,9-8+,10-7+.
What are the key properties of (NE)-N-[3-[(E)-prop-1-enyl]iminopentan-2-ylidene]hydroxylamine?
(NE)-N-[3-[(E)-prop-1-enyl]iminopentan-2-ylidene]hydroxylamine has a molecular weight of 154.21 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-[(E)-prop-1-enyl]iminopentan-2-ylidene]hydroxylamine is sourced from PubChem (CID 137315980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).