(NE)-N-[(E)-3-methylpent-3-en-2-ylidene]hydroxylamine

C6H11NO — CID 19602983

IUPAC(NE)-N-[(E)-3-methylpent-3-en-2-ylidene]hydroxylamine
SMILESC/C=C(C)/C(C)=N/O
InChIInChI=1S/C6H11NO/c1-4-5(2)6(3)7-8/h4,8H,1-3H3/b5-4+,7-6+
InChIKeyBFTRXKSWPRFRFL-YTXTXJHMSA-N
MW113.16 g/mol
LogP1.80
Rot. Bonds1

About (NE)-N-[(E)-3-methylpent-3-en-2-ylidene]hydroxylamine

(NE)-N-[(E)-3-methylpent-3-en-2-ylidene]hydroxylamine (PubChem CID 19602983) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (NE)-N-[(E)-3-methylpent-3-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(E)-3-methylpent-3-en-2-ylidene]hydroxylamine
PubChem CID19602983
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(NE)-N-[(E)-3-methylpent-3-en-2-ylidene]hydroxylamine
SMILESC/C=C(C)/C(C)=N/O
InChIInChI=1S/C6H11NO/c1-4-5(2)6(3)7-8/h4,8H,1-3H3/b5-4+,7-6+
InChIKeyBFTRXKSWPRFRFL-YTXTXJHMSA-N
XLogP1.80
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 ≤ 51.80
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

(NE)-N-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine
CID 9568612
3-Penten-2-one, 4-methyl-, oxime
CID 5931666
(NE)-N-(2-methylcyclohex-2-en-1-ylidene)hydroxylamine
CID 12936816
(NE)-N-(3-methylcyclohex-2-en-1-ylidene)hydroxylamine
CID 11804758
(NE)-N-[(E)-hex-4-en-3-ylidene]hydroxylamine
CID 44450368
6-Methylhept-5-en-2-one oxime
CID 90779
(NZ)-N-(4-methylpent-3-en-2-ylidene)hydroxylamine
CID 5369105
3-Penten-2-one, 3-methyl-, O-methyloxime
CID 9601404
(NE)-N-(6-methylhept-5-en-2-ylidene)hydroxylamine
CID 9636360
(NE)-N-(3-methylbut-3-en-2-ylidene)hydroxylamine
CID 12500817
Isobutylidenacetonoxim
CID 76813072
(NZ)-N-[(E)-pent-3-en-2-ylidene]hydroxylamine
CID 101070438

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(E)-3-methylpent-3-en-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(E)-3-methylpent-3-en-2-ylidene]hydroxylamine (CID 19602983) is (NE)-N-[(E)-3-methylpent-3-en-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(E)-3-methylpent-3-en-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(E)-3-methylpent-3-en-2-ylidene]hydroxylamine is C/C=C(C)/C(C)=N/O.
What is the InChIKey of (NE)-N-[(E)-3-methylpent-3-en-2-ylidene]hydroxylamine?
The InChIKey is BFTRXKSWPRFRFL-YTXTXJHMSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-5(2)6(3)7-8/h4,8H,1-3H3/b5-4+,7-6+.
What are the key properties of (NE)-N-[(E)-3-methylpent-3-en-2-ylidene]hydroxylamine?
(NE)-N-[(E)-3-methylpent-3-en-2-ylidene]hydroxylamine has a molecular weight of 113.16 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-3-methylpent-3-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 19602983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).