(NE)-N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylidene]hydroxylamine

C7H13NO3 — CID 15252891

IUPAC(NE)-N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylidene]hydroxylamine
SMILESCC1(C)OC[C@H](C/C=N/O)O1
InChIInChI=1S/C7H13NO3/c1-7(2)10-5-6(11-7)3-4-8-9/h4,6,9H,3,5H2,1-2H3/b8-4+/t6-/m0/s1
InChIKeyRSMAIBPPUNGKFS-VWOAIRDFSA-N
MW159.19 g/mol
LogP0.99
Rot. Bonds2

About (NE)-N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylidene]hydroxylamine

(NE)-N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylidene]hydroxylamine (PubChem CID 15252891) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is (NE)-N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylidene]hydroxylamine
PubChem CID15252891
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name(NE)-N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylidene]hydroxylamine
SMILESCC1(C)OC[C@H](C/C=N/O)O1
InChIInChI=1S/C7H13NO3/c1-7(2)10-5-6(11-7)3-4-8-9/h4,6,9H,3,5H2,1-2H3/b8-4+/t6-/m0/s1
InChIKeyRSMAIBPPUNGKFS-VWOAIRDFSA-N
XLogP0.99
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (NE)-N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylidene]hydroxylamine (CID 15252891) is (NE)-N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylidene]hydroxylamine is CC1(C)OC[C@H](C/C=N/O)O1.
What is the InChIKey of (NE)-N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylidene]hydroxylamine?
The InChIKey is RSMAIBPPUNGKFS-VWOAIRDFSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(2)10-5-6(11-7)3-4-8-9/h4,6,9H,3,5H2,1-2H3/b8-4+/t6-/m0/s1.
What are the key properties of (NE)-N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylidene]hydroxylamine?
(NE)-N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylidene]hydroxylamine has a molecular weight of 159.19 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 15252891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).