N-[(E)-3-chloroprop-2-enyl]-2,3-dimethyloxolan-3-amine

C9H16ClNO — CID 103581223

IUPACN-[(E)-3-chloroprop-2-enyl]-2,3-dimethyloxolan-3-amine
SMILESCC1OCCC1(C)NC/C=C/Cl
InChIInChI=1S/C9H16ClNO/c1-8-9(2,4-7-12-8)11-6-3-5-10/h3,5,8,11H,4,6-7H2,1-2H3/b5-3+
InChIKeyGAMOBMLRSCWDRY-HWKANZROSA-N
MW189.69 g/mol
LogP1.90
Rot. Bonds3

About N-[(E)-3-chloroprop-2-enyl]-2,3-dimethyloxolan-3-amine

N-[(E)-3-chloroprop-2-enyl]-2,3-dimethyloxolan-3-amine (PubChem CID 103581223) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-2,3-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-2,3-dimethyloxolan-3-amine
PubChem CID103581223
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-2,3-dimethyloxolan-3-amine
SMILESCC1OCCC1(C)NC/C=C/Cl
InChIInChI=1S/C9H16ClNO/c1-8-9(2,4-7-12-8)11-6-3-5-10/h3,5,8,11H,4,6-7H2,1-2H3/b5-3+
InChIKeyGAMOBMLRSCWDRY-HWKANZROSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-2,3-dimethyloxolan-3-amine?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-2,3-dimethyloxolan-3-amine (CID 103581223) is N-[(E)-3-chloroprop-2-enyl]-2,3-dimethyloxolan-3-amine.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-2,3-dimethyloxolan-3-amine?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-2,3-dimethyloxolan-3-amine is CC1OCCC1(C)NC/C=C/Cl.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-2,3-dimethyloxolan-3-amine?
The InChIKey is GAMOBMLRSCWDRY-HWKANZROSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-8-9(2,4-7-12-8)11-6-3-5-10/h3,5,8,11H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-2,3-dimethyloxolan-3-amine?
N-[(E)-3-chloroprop-2-enyl]-2,3-dimethyloxolan-3-amine has a molecular weight of 189.69 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enyl]-2,3-dimethyloxolan-3-amine is sourced from PubChem (CID 103581223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).