(NE)-N-[(3R)-3-methyl-2-methylidenepentylidene]hydroxylamine

C7H13NO — CID 177442620

IUPAC(NE)-N-[(3R)-3-methyl-2-methylidenepentylidene]hydroxylamine
SMILESC=C(/C=N/O)[C@H](C)CC
InChIInChI=1S/C7H13NO/c1-4-6(2)7(3)5-8-9/h5-6,9H,3-4H2,1-2H3/b8-5+/t6-/m1/s1
InChIKeyITTFDDPAGKYRTO-URNIURQGSA-N
MW127.19 g/mol
LogP2.05
Rot. Bonds3

About (NE)-N-[(3R)-3-methyl-2-methylidenepentylidene]hydroxylamine

(NE)-N-[(3R)-3-methyl-2-methylidenepentylidene]hydroxylamine (PubChem CID 177442620) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (NE)-N-[(3R)-3-methyl-2-methylidenepentylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3R)-3-methyl-2-methylidenepentylidene]hydroxylamine
PubChem CID177442620
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(NE)-N-[(3R)-3-methyl-2-methylidenepentylidene]hydroxylamine
SMILESC=C(/C=N/O)[C@H](C)CC
InChIInChI=1S/C7H13NO/c1-4-6(2)7(3)5-8-9/h5-6,9H,3-4H2,1-2H3/b8-5+/t6-/m1/s1
InChIKeyITTFDDPAGKYRTO-URNIURQGSA-N
XLogP2.05
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 52.05
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 (NE)-N-[(3R)-3-methyl-2-methylidenepentylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3R)-3-methyl-2-methylidenepentylidene]hydroxylamine (CID 177442620) is (NE)-N-[(3R)-3-methyl-2-methylidenepentylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3R)-3-methyl-2-methylidenepentylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3R)-3-methyl-2-methylidenepentylidene]hydroxylamine is C=C(/C=N/O)[C@H](C)CC.
What is the InChIKey of (NE)-N-[(3R)-3-methyl-2-methylidenepentylidene]hydroxylamine?
The InChIKey is ITTFDDPAGKYRTO-URNIURQGSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-6(2)7(3)5-8-9/h5-6,9H,3-4H2,1-2H3/b8-5+/t6-/m1/s1.
What are the key properties of (NE)-N-[(3R)-3-methyl-2-methylidenepentylidene]hydroxylamine?
(NE)-N-[(3R)-3-methyl-2-methylidenepentylidene]hydroxylamine has a molecular weight of 127.19 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3R)-3-methyl-2-methylidenepentylidene]hydroxylamine is sourced from PubChem (CID 177442620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).