(4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidine

C7H13NO — CID 141075303

IUPAC(4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidine
SMILESC=C(C)C[C@H]1COCN1
InChIInChI=1S/C7H13NO/c1-6(2)3-7-4-9-5-8-7/h7-8H,1,3-5H2,2H3/t7-/m0/s1
InChIKeySYVHGKKFYNHTEA-ZETCQYMHSA-N
MW127.19 g/mol
LogP0.90
Rot. Bonds2

About (4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidine

(4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidine (PubChem CID 141075303) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidine
PubChem CID141075303
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidine
SMILESC=C(C)C[C@H]1COCN1
InChIInChI=1S/C7H13NO/c1-6(2)3-7-4-9-5-8-7/h7-8H,1,3-5H2,2H3/t7-/m0/s1
InChIKeySYVHGKKFYNHTEA-ZETCQYMHSA-N
XLogP0.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one
CID 57463978
4-(2-Methylprop-2-enyl)-1,3-oxazolidin-2-one
CID 69527292
(4S)-2-methylidene-4-(2-methylprop-2-enyl)-1,3-oxazolidine
CID 89313544
2-(2-Methylprop-2-enyl)-1,3-oxazolidine
CID 140355787
Ethane;4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one
CID 142805365
2-Methyl-4-prop-1-en-2-yl-1,3-oxazolidine
CID 163479643
2-(Methoxymethyl)-4-methylidenepyrrolidine
CID 176568186
2-(Ethoxymethyl)-4-methylidenepyrrolidine
CID 176568560
N,4-dimethyl-1-propoxypent-4-en-2-amine
CID 79177386
1-methoxy-N,4-dimethylpent-4-en-2-amine
CID 79179788
N-ethyl-1-methoxy-4-methylpent-4-en-2-amine
CID 79179789
1-methoxy-4-methyl-N-propylpent-4-en-2-amine
CID 79179988

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidine?
The IUPAC name of (4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidine (CID 141075303) is (4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidine.
What is the SMILES notation for (4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidine?
The canonical SMILES for (4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidine is C=C(C)C[C@H]1COCN1.
What is the InChIKey of (4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidine?
The InChIKey is SYVHGKKFYNHTEA-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(2)3-7-4-9-5-8-7/h7-8H,1,3-5H2,2H3/t7-/m0/s1.
What are the key properties of (4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidine?
(4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidine has a molecular weight of 127.19 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidine is sourced from PubChem (CID 141075303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).