ethane;(NZ)-N-[(Z)-pent-3-en-2-ylidene]hydroxylamine

C7H15NO — CID 155751390

IUPACethane;(NZ)-N-[(Z)-pent-3-en-2-ylidene]hydroxylamine
SMILESC/C=C\C(C)=N/O.CC
InChIInChI=1S/C5H9NO.C2H6/c1-3-4-5(2)6-7;1-2/h3-4,7H,1-2H3;1-2H3/b4-3-,6-5-;
InChIKeyTYQUMOBFUXZBCH-LMOCLWJBSA-N
MW129.20 g/mol
LogP2.44
Rot. Bonds1

About ethane;(NZ)-N-[(Z)-pent-3-en-2-ylidene]hydroxylamine

ethane;(NZ)-N-[(Z)-pent-3-en-2-ylidene]hydroxylamine (PubChem CID 155751390) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is ethane;(NZ)-N-[(Z)-pent-3-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound Nameethane;(NZ)-N-[(Z)-pent-3-en-2-ylidene]hydroxylamine
PubChem CID155751390
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Nameethane;(NZ)-N-[(Z)-pent-3-en-2-ylidene]hydroxylamine
SMILESC/C=C\C(C)=N/O.CC
InChIInChI=1S/C5H9NO.C2H6/c1-3-4-5(2)6-7;1-2/h3-4,7H,1-2H3;1-2H3/b4-3-,6-5-;
InChIKeyTYQUMOBFUXZBCH-LMOCLWJBSA-N
XLogP2.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(NZ)-N-[(Z)-pent-3-en-2-ylidene]hydroxylamine?
The IUPAC name of ethane;(NZ)-N-[(Z)-pent-3-en-2-ylidene]hydroxylamine (CID 155751390) is ethane;(NZ)-N-[(Z)-pent-3-en-2-ylidene]hydroxylamine.
What is the SMILES notation for ethane;(NZ)-N-[(Z)-pent-3-en-2-ylidene]hydroxylamine?
The canonical SMILES for ethane;(NZ)-N-[(Z)-pent-3-en-2-ylidene]hydroxylamine is C/C=C\C(C)=N/O.CC.
What is the InChIKey of ethane;(NZ)-N-[(Z)-pent-3-en-2-ylidene]hydroxylamine?
The InChIKey is TYQUMOBFUXZBCH-LMOCLWJBSA-N. The full InChI is InChI=1S/C5H9NO.C2H6/c1-3-4-5(2)6-7;1-2/h3-4,7H,1-2H3;1-2H3/b4-3-,6-5-;.
What are the key properties of ethane;(NZ)-N-[(Z)-pent-3-en-2-ylidene]hydroxylamine?
ethane;(NZ)-N-[(Z)-pent-3-en-2-ylidene]hydroxylamine has a molecular weight of 129.20 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(NZ)-N-[(Z)-pent-3-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 155751390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).