(NE)-N-[2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine

C14H23NO — CID 21467054

IUPAC(NE)-N-[2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine
SMILESC=C(CC(C)/C=N/O)C1CC=C(C)C1(C)C
InChIInChI=1S/C14H23NO/c1-10(9-15-16)8-11(2)13-7-6-12(3)14(13,4)5/h6,9-10,13,16H,2,7-8H2,1,3-5H3/b15-9+
InChIKeyBDEBGKHPJPJEIL-OQLLNIDSSA-N
MW221.34 g/mol
LogP4.02
Rot. Bonds4

About (NE)-N-[2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine

(NE)-N-[2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine (PubChem CID 21467054) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (NE)-N-[2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine
PubChem CID21467054
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(NE)-N-[2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine
SMILESC=C(CC(C)/C=N/O)C1CC=C(C)C1(C)C
InChIInChI=1S/C14H23NO/c1-10(9-15-16)8-11(2)13-7-6-12(3)14(13,4)5/h6,9-10,13,16H,2,7-8H2,1,3-5H3/b15-9+
InChIKeyBDEBGKHPJPJEIL-OQLLNIDSSA-N
XLogP4.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine (CID 21467054) is (NE)-N-[2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine is C=C(CC(C)/C=N/O)C1CC=C(C)C1(C)C.
What is the InChIKey of (NE)-N-[2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine?
The InChIKey is BDEBGKHPJPJEIL-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(9-15-16)8-11(2)13-7-6-12(3)14(13,4)5/h6,9-10,13,16H,2,7-8H2,1,3-5H3/b15-9+.
What are the key properties of (NE)-N-[2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine?
(NE)-N-[2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine has a molecular weight of 221.34 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine is sourced from PubChem (CID 21467054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).