N-[2-(1-butylcyclopropyl)ethylidene]hydroxylamine

C9H17NO — CID 71386349

IUPACN-[2-(1-butylcyclopropyl)ethylidene]hydroxylamine
SMILESCCCCC1(CC=NO)CC1
InChIInChI=1S/C9H17NO/c1-2-3-4-9(5-6-9)7-8-10-11/h8,11H,2-7H2,1H3
InChIKeyLUHJHPKXIPCMKP-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.81
Rot. Bonds5

About N-[2-(1-butylcyclopropyl)ethylidene]hydroxylamine

N-[2-(1-butylcyclopropyl)ethylidene]hydroxylamine (PubChem CID 71386349) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-[2-(1-butylcyclopropyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(1-butylcyclopropyl)ethylidene]hydroxylamine
PubChem CID71386349
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-[2-(1-butylcyclopropyl)ethylidene]hydroxylamine
SMILESCCCCC1(CC=NO)CC1
InChIInChI=1S/C9H17NO/c1-2-3-4-9(5-6-9)7-8-10-11/h8,11H,2-7H2,1H3
InChIKeyLUHJHPKXIPCMKP-UHFFFAOYSA-N
XLogP2.81
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.81
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-[2-(1-butylcyclopropyl)ethylidene]hydroxylamine?
The IUPAC name of N-[2-(1-butylcyclopropyl)ethylidene]hydroxylamine (CID 71386349) is N-[2-(1-butylcyclopropyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-(1-butylcyclopropyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[2-(1-butylcyclopropyl)ethylidene]hydroxylamine is CCCCC1(CC=NO)CC1.
What is the InChIKey of N-[2-(1-butylcyclopropyl)ethylidene]hydroxylamine?
The InChIKey is LUHJHPKXIPCMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-4-9(5-6-9)7-8-10-11/h8,11H,2-7H2,1H3.
What are the key properties of N-[2-(1-butylcyclopropyl)ethylidene]hydroxylamine?
N-[2-(1-butylcyclopropyl)ethylidene]hydroxylamine has a molecular weight of 155.24 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-butylcyclopropyl)ethylidene]hydroxylamine is sourced from PubChem (CID 71386349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).