N-[1-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]propylidene]hydroxylamine

C13H21NO — CID 11887118

IUPACN-[1-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]propylidene]hydroxylamine
SMILESCCC(=NO)C1=C[C@]2(C)CC[C@H]1C2(C)C
InChIInChI=1S/C13H21NO/c1-5-11(14-15)9-8-13(4)7-6-10(9)12(13,2)3/h8,10,15H,5-7H2,1-4H3/t10-,13+/m1/s1
InChIKeyLMOJMDVHOXUIJK-MFKMUULPSA-N
MW207.32 g/mol
LogP3.61
Rot. Bonds2

About N-[1-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]propylidene]hydroxylamine

N-[1-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]propylidene]hydroxylamine (PubChem CID 11887118) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[1-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]propylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]propylidene]hydroxylamine
PubChem CID11887118
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[1-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]propylidene]hydroxylamine
SMILESCCC(=NO)C1=C[C@]2(C)CC[C@H]1C2(C)C
InChIInChI=1S/C13H21NO/c1-5-11(14-15)9-8-13(4)7-6-10(9)12(13,2)3/h8,10,15H,5-7H2,1-4H3/t10-,13+/m1/s1
InChIKeyLMOJMDVHOXUIJK-MFKMUULPSA-N
XLogP3.61
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.61
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 N-[1-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]propylidene]hydroxylamine?
The IUPAC name of N-[1-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]propylidene]hydroxylamine (CID 11887118) is N-[1-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]propylidene]hydroxylamine.
What is the SMILES notation for N-[1-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]propylidene]hydroxylamine?
The canonical SMILES for N-[1-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]propylidene]hydroxylamine is CCC(=NO)C1=C[C@]2(C)CC[C@H]1C2(C)C.
What is the InChIKey of N-[1-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]propylidene]hydroxylamine?
The InChIKey is LMOJMDVHOXUIJK-MFKMUULPSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-11(14-15)9-8-13(4)7-6-10(9)12(13,2)3/h8,10,15H,5-7H2,1-4H3/t10-,13+/m1/s1.
What are the key properties of N-[1-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]propylidene]hydroxylamine?
N-[1-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]propylidene]hydroxylamine has a molecular weight of 207.32 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]propylidene]hydroxylamine is sourced from PubChem (CID 11887118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).