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

C14H23NO — CID 173327209

IUPACN-[(2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine
SMILESC=C(C[C@@H](C)C=NO)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/t10-,13?/m1/s1
InChIKeyBDEBGKHPJPJEIL-VUUHIHSGSA-N
MW221.34 g/mol
LogP4.02
Rot. Bonds4

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

N-[(2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine (PubChem CID 173327209) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine
PubChem CID173327209
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine
SMILESC=C(C[C@@H](C)C=NO)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/t10-,13?/m1/s1
InChIKeyBDEBGKHPJPJEIL-VUUHIHSGSA-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 N-[(2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine?
The IUPAC name of N-[(2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine (CID 173327209) is N-[(2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine.
What is the SMILES notation for N-[(2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine?
The canonical SMILES for N-[(2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine is C=C(C[C@@H](C)C=NO)C1CC=C(C)C1(C)C.
What is the InChIKey of N-[(2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine?
The InChIKey is BDEBGKHPJPJEIL-VUUHIHSGSA-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/t10-,13?/m1/s1.
What are the key properties of N-[(2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine?
N-[(2R)-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 N-[(2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine is sourced from PubChem (CID 173327209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).