3-(2-nitrosoethoxy)pent-1-ene

C7H13NO2 — CID 90726353

IUPAC3-(2-nitrosoethoxy)pent-1-ene
SMILESC=CC(CC)OCCN=O
InChIInChI=1S/C7H13NO2/c1-3-7(4-2)10-6-5-8-9/h3,7H,1,4-6H2,2H3
InChIKeyNGDOTIPMICAFSJ-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.73
Rot. Bonds6

About 3-(2-nitrosoethoxy)pent-1-ene

3-(2-nitrosoethoxy)pent-1-ene (PubChem CID 90726353) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-(2-nitrosoethoxy)pent-1-ene.

Molecular Properties

Compound Name3-(2-nitrosoethoxy)pent-1-ene
PubChem CID90726353
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-(2-nitrosoethoxy)pent-1-ene
SMILESC=CC(CC)OCCN=O
InChIInChI=1S/C7H13NO2/c1-3-7(4-2)10-6-5-8-9/h3,7H,1,4-6H2,2H3
InChIKeyNGDOTIPMICAFSJ-UHFFFAOYSA-N
XLogP1.73
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-4-methoxy-3-(2-nitrosoethoxy)but-1-ene
CID 91068700
1-pent-1-en-3-yloxypentane
CID 88898435
3-(3-methylbut-2-enoxy)pent-1-ene
CID 175435022
[(3R)-pent-1-en-3-yl] acetate
CID 92859949
(3R)-3-but-2-ynoxypent-1-ene
CID 101391150
pent-1-en-3-yl hydrogen sulfate
CID 87155299
acetaldehyde;2-hex-1-en-3-yloxyethyl acetate
CID 20565579
ethane-1,2-diol;3-methoxypent-1-ene
CID 90081952
2-methyl-2-(2-nitrosoethoxy)propane
CID 90857384
(3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene
CID 124562631
3-propoxynonadec-1-ene
CID 87204997
pent-1-en-3-yloxycarbamic acid
CID 91159745

Frequently Asked Questions

What is the IUPAC name of 3-(2-nitrosoethoxy)pent-1-ene?
The IUPAC name of 3-(2-nitrosoethoxy)pent-1-ene (CID 90726353) is 3-(2-nitrosoethoxy)pent-1-ene.
What is the SMILES notation for 3-(2-nitrosoethoxy)pent-1-ene?
The canonical SMILES for 3-(2-nitrosoethoxy)pent-1-ene is C=CC(CC)OCCN=O.
What is the InChIKey of 3-(2-nitrosoethoxy)pent-1-ene?
The InChIKey is NGDOTIPMICAFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-7(4-2)10-6-5-8-9/h3,7H,1,4-6H2,2H3.
What are the key properties of 3-(2-nitrosoethoxy)pent-1-ene?
3-(2-nitrosoethoxy)pent-1-ene has a molecular weight of 143.19 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitrosoethoxy)pent-1-ene is sourced from PubChem (CID 90726353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).