(NE)-N-[(2,2-dimethylcyclopropyl)methylidene]hydroxylamine

C6H11NO — CID 11159312

IUPAC(NE)-N-[(2,2-dimethylcyclopropyl)methylidene]hydroxylamine
SMILESCC1(C)CC1/C=N/O
InChIInChI=1S/C6H11NO/c1-6(2)3-5(6)4-7-8/h4-5,8H,3H2,1-2H3/b7-4+
InChIKeyMACDSKNGUXXUDT-QPJJXVBHSA-N
MW113.16 g/mol
LogP1.49
Rot. Bonds1

About (NE)-N-[(2,2-dimethylcyclopropyl)methylidene]hydroxylamine

(NE)-N-[(2,2-dimethylcyclopropyl)methylidene]hydroxylamine (PubChem CID 11159312) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (NE)-N-[(2,2-dimethylcyclopropyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2,2-dimethylcyclopropyl)methylidene]hydroxylamine
PubChem CID11159312
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(NE)-N-[(2,2-dimethylcyclopropyl)methylidene]hydroxylamine
SMILESCC1(C)CC1/C=N/O
InChIInChI=1S/C6H11NO/c1-6(2)3-5(6)4-7-8/h4-5,8H,3H2,1-2H3/b7-4+
InChIKeyMACDSKNGUXXUDT-QPJJXVBHSA-N
XLogP1.49
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.49
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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Related Compounds

N-[(2,2,6,6-tetramethylpiperidin-4-yl)methylidene]hydroxylamine
CID 175196118
1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane
CID 520632
6-[(Z)-hydroxyiminomethyl]-3-methyl-2-oxatricyclo[3.3.1.13,7]decan-1-ol
CID 174744515
(2S)-2-(2,2-dibromoethenyl)-1,1-dimethylcyclopropane
CID 88596820
2-(2-fluoroprop-1-enyl)-1,1-dimethylcyclopropane
CID 54075210
(3R,5S,8R,9S,10S,13S,14S)-17-(hydroxyiminomethyl)-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 154258411
(Z)-3-(2,2-dimethylcyclopropyl)prop-2-enoic acid
CID 154493247
(2E)-2-[(2,2-dimethylcyclopropyl)methylidene]-3-methylbutanenitrile
CID 89273892
1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride
CID 159817831
carbonic acid;2-(2-fluoroethenyl)-1,1-dimethylcyclopropane
CID 70131151
3-(2,2-dimethylcyclopropyl)prop-2-enal
CID 88727761
(1R)-1-ethyl-3,3,5-trimethylcyclohexan-1-ol
CID 134996054

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2,2-dimethylcyclopropyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2,2-dimethylcyclopropyl)methylidene]hydroxylamine (CID 11159312) is (NE)-N-[(2,2-dimethylcyclopropyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2,2-dimethylcyclopropyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2,2-dimethylcyclopropyl)methylidene]hydroxylamine is CC1(C)CC1/C=N/O.
What is the InChIKey of (NE)-N-[(2,2-dimethylcyclopropyl)methylidene]hydroxylamine?
The InChIKey is MACDSKNGUXXUDT-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(2)3-5(6)4-7-8/h4-5,8H,3H2,1-2H3/b7-4+.
What are the key properties of (NE)-N-[(2,2-dimethylcyclopropyl)methylidene]hydroxylamine?
(NE)-N-[(2,2-dimethylcyclopropyl)methylidene]hydroxylamine has a molecular weight of 113.16 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2,2-dimethylcyclopropyl)methylidene]hydroxylamine is sourced from PubChem (CID 11159312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).