4-[(2S)-2-nitrobutyl]morpholine

C8H16N2O3 — CID 76964371

IUPAC4-[(2S)-2-nitrobutyl]morpholine
SMILESCC[C@@H](CN1CCOCC1)[N+](=O)[O-]
InChIInChI=1S/C8H16N2O3/c1-2-8(10(11)12)7-9-3-5-13-6-4-9/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyGQHVWDKJTDUZRP-QMMMGPOBSA-N
MW188.23 g/mol
LogP0.37
Rot. Bonds4

About 4-[(2S)-2-nitrobutyl]morpholine

4-[(2S)-2-nitrobutyl]morpholine (PubChem CID 76964371) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-[(2S)-2-nitrobutyl]morpholine.

Molecular Properties

Compound Name4-[(2S)-2-nitrobutyl]morpholine
PubChem CID76964371
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name4-[(2S)-2-nitrobutyl]morpholine
SMILESCC[C@@H](CN1CCOCC1)[N+](=O)[O-]
InChIInChI=1S/C8H16N2O3/c1-2-8(10(11)12)7-9-3-5-13-6-4-9/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyGQHVWDKJTDUZRP-QMMMGPOBSA-N
XLogP0.37
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2S)-2-nitrobutyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-(2-methylbutyl)morpholine
CID 142525427
1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
CID 129310449
butane;4-(2-methylpropyl)morpholine
CID 155751822
4-(2-nitroethyl)morpholine
CID 66731033
(2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one
CID 165399162
methyl 2-(morpholin-4-ylmethyl)butanoate
CID 117242059
2-methyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 43675679
N-butan-2-yl-2-methyl-3-morpholin-4-ylpropan-1-amine
CID 115722394
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
2-(morpholin-4-ylmethyl)pentanal
CID 143181502
4-[(2R)-1-morpholin-4-ylpropan-2-yl]morpholine
CID 28775628
4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 91228276

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-nitrobutyl]morpholine?
The IUPAC name of 4-[(2S)-2-nitrobutyl]morpholine (CID 76964371) is 4-[(2S)-2-nitrobutyl]morpholine.
What is the SMILES notation for 4-[(2S)-2-nitrobutyl]morpholine?
The canonical SMILES for 4-[(2S)-2-nitrobutyl]morpholine is CC[C@@H](CN1CCOCC1)[N+](=O)[O-].
What is the InChIKey of 4-[(2S)-2-nitrobutyl]morpholine?
The InChIKey is GQHVWDKJTDUZRP-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-2-8(10(11)12)7-9-3-5-13-6-4-9/h8H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of 4-[(2S)-2-nitrobutyl]morpholine?
4-[(2S)-2-nitrobutyl]morpholine has a molecular weight of 188.23 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-nitrobutyl]morpholine is sourced from PubChem (CID 76964371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).