4-(hept-6-en-3-ylamino)oxolan-3-ol

C11H21NO2 — CID 115923400

IUPAC4-(hept-6-en-3-ylamino)oxolan-3-ol
SMILESC=CCCC(CC)NC1COCC1O
InChIInChI=1S/C11H21NO2/c1-3-5-6-9(4-2)12-10-7-14-8-11(10)13/h3,9-13H,1,4-8H2,2H3
InChIKeySGKRHPSKNPSOTI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.08
Rot. Bonds6

About 4-(hept-6-en-3-ylamino)oxolan-3-ol

4-(hept-6-en-3-ylamino)oxolan-3-ol (PubChem CID 115923400) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-(hept-6-en-3-ylamino)oxolan-3-ol.

Molecular Properties

Compound Name4-(hept-6-en-3-ylamino)oxolan-3-ol
PubChem CID115923400
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-(hept-6-en-3-ylamino)oxolan-3-ol
SMILESC=CCCC(CC)NC1COCC1O
InChIInChI=1S/C11H21NO2/c1-3-5-6-9(4-2)12-10-7-14-8-11(10)13/h3,9-13H,1,4-8H2,2H3
InChIKeySGKRHPSKNPSOTI-UHFFFAOYSA-N
XLogP1.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-hydroxybutan-2-ylamino)oxolan-3-ol
CID 60910255
4-(heptan-4-ylamino)oxolan-3-ol
CID 115923440
N-hept-6-en-3-yl-1,1-dioxothiolan-3-amine
CID 115707649
N-hept-6-en-3-yl-4-methyloxan-4-amine
CID 115921845
(3S,4S)-4-(propan-2-ylamino)oxolan-3-ol
CID 93383484
N-hex-5-en-2-yloxetan-3-amine
CID 104655767
1-[3-(hept-6-en-3-ylamino)pyrrolidin-1-yl]ethanone
CID 115893962
[2-(hept-6-en-3-ylamino)-1-methylcyclopentyl]methanol
CID 115724046
(3R,4R)-4-(methylamino)oxolan-3-ol
CID 73357418
(3S,4R)-4-(ethenylamino)oxolan-3-ol
CID 155017915
methyl N-hept-6-en-3-ylcarbamate
CID 176564834
N-ethyl-2-[(4-hydroxyoxolan-3-yl)amino]-N-methylpropanamide
CID 103108571

Frequently Asked Questions

What is the IUPAC name of 4-(hept-6-en-3-ylamino)oxolan-3-ol?
The IUPAC name of 4-(hept-6-en-3-ylamino)oxolan-3-ol (CID 115923400) is 4-(hept-6-en-3-ylamino)oxolan-3-ol.
What is the SMILES notation for 4-(hept-6-en-3-ylamino)oxolan-3-ol?
The canonical SMILES for 4-(hept-6-en-3-ylamino)oxolan-3-ol is C=CCCC(CC)NC1COCC1O.
What is the InChIKey of 4-(hept-6-en-3-ylamino)oxolan-3-ol?
The InChIKey is SGKRHPSKNPSOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-6-9(4-2)12-10-7-14-8-11(10)13/h3,9-13H,1,4-8H2,2H3.
What are the key properties of 4-(hept-6-en-3-ylamino)oxolan-3-ol?
4-(hept-6-en-3-ylamino)oxolan-3-ol has a molecular weight of 199.29 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hept-6-en-3-ylamino)oxolan-3-ol is sourced from PubChem (CID 115923400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).