N-(3-propylcyclohexa-1,5-dien-1-yl)hydroxylamine

C9H15NO — CID 163983354

IUPACN-(3-propylcyclohexa-1,5-dien-1-yl)hydroxylamine
SMILESCCCC1C=C(NO)C=CC1
InChIInChI=1S/C9H15NO/c1-2-4-8-5-3-6-9(7-8)10-11/h3,6-8,10-11H,2,4-5H2,1H3
InChIKeyTUEIYUXUSUQSTC-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.23
Rot. Bonds3

About N-(3-propylcyclohexa-1,5-dien-1-yl)hydroxylamine

N-(3-propylcyclohexa-1,5-dien-1-yl)hydroxylamine (PubChem CID 163983354) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-(3-propylcyclohexa-1,5-dien-1-yl)hydroxylamine.

Molecular Properties

Compound NameN-(3-propylcyclohexa-1,5-dien-1-yl)hydroxylamine
PubChem CID163983354
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-(3-propylcyclohexa-1,5-dien-1-yl)hydroxylamine
SMILESCCCC1C=C(NO)C=CC1
InChIInChI=1S/C9H15NO/c1-2-4-8-5-3-6-9(7-8)10-11/h3,6-8,10-11H,2,4-5H2,1H3
InChIKeyTUEIYUXUSUQSTC-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-pentyl-2-propylcyclohexa-1,3-diene
CID 144896807
1-methyl-3-propylcyclobutene
CID 14434507
[3-(methylamino)cyclohexa-2,4-dien-1-yl]boronic acid
CID 70267733
3-fluoro-2-methyl-5-propylcyclohexa-1,3-diene
CID 89277390
5-propylcyclohexa-1,3-diene
CID 13212987
6-propylcyclohepta-1,4-diene
CID 142104440
3-ethyl-N-methylcyclohexa-2,4-dien-1-amine
CID 123351089
N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine
CID 145306811
2-ethyl-5-propylcyclohexa-1,3-diene;ethynol
CID 145190704
[(1S)-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl]methanamine
CID 167203745
5-prop-1-en-2-yl-3-propyl-2,3-dihydro-1H-pyrrole
CID 141432673
3-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-amine
CID 144508094

Frequently Asked Questions

What is the IUPAC name of N-(3-propylcyclohexa-1,5-dien-1-yl)hydroxylamine?
The IUPAC name of N-(3-propylcyclohexa-1,5-dien-1-yl)hydroxylamine (CID 163983354) is N-(3-propylcyclohexa-1,5-dien-1-yl)hydroxylamine.
What is the SMILES notation for N-(3-propylcyclohexa-1,5-dien-1-yl)hydroxylamine?
The canonical SMILES for N-(3-propylcyclohexa-1,5-dien-1-yl)hydroxylamine is CCCC1C=C(NO)C=CC1.
What is the InChIKey of N-(3-propylcyclohexa-1,5-dien-1-yl)hydroxylamine?
The InChIKey is TUEIYUXUSUQSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-4-8-5-3-6-9(7-8)10-11/h3,6-8,10-11H,2,4-5H2,1H3.
What are the key properties of N-(3-propylcyclohexa-1,5-dien-1-yl)hydroxylamine?
N-(3-propylcyclohexa-1,5-dien-1-yl)hydroxylamine has a molecular weight of 153.22 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propylcyclohexa-1,5-dien-1-yl)hydroxylamine is sourced from PubChem (CID 163983354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).