[3-[(E)-3-chloroprop-2-enyl]oxolan-3-yl]methanamine

C8H14ClNO — CID 130514917

IUPAC[3-[(E)-3-chloroprop-2-enyl]oxolan-3-yl]methanamine
SMILESNCC1(C/C=C/Cl)CCOC1
InChIInChI=1S/C8H14ClNO/c9-4-1-2-8(6-10)3-5-11-7-8/h1,4H,2-3,5-7,10H2/b4-1+
InChIKeyORTRHXSWAIXQPR-DAFODLJHSA-N
MW175.66 g/mol
LogP1.49
Rot. Bonds3

About [3-[(E)-3-chloroprop-2-enyl]oxolan-3-yl]methanamine

[3-[(E)-3-chloroprop-2-enyl]oxolan-3-yl]methanamine (PubChem CID 130514917) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is [3-[(E)-3-chloroprop-2-enyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(E)-3-chloroprop-2-enyl]oxolan-3-yl]methanamine
PubChem CID130514917
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name[3-[(E)-3-chloroprop-2-enyl]oxolan-3-yl]methanamine
SMILESNCC1(C/C=C/Cl)CCOC1
InChIInChI=1S/C8H14ClNO/c9-4-1-2-8(6-10)3-5-11-7-8/h1,4H,2-3,5-7,10H2/b4-1+
InChIKeyORTRHXSWAIXQPR-DAFODLJHSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(E)-3-chloroprop-2-enyl]oxolan-3-yl]methanamine?
The IUPAC name of [3-[(E)-3-chloroprop-2-enyl]oxolan-3-yl]methanamine (CID 130514917) is [3-[(E)-3-chloroprop-2-enyl]oxolan-3-yl]methanamine.
What is the SMILES notation for [3-[(E)-3-chloroprop-2-enyl]oxolan-3-yl]methanamine?
The canonical SMILES for [3-[(E)-3-chloroprop-2-enyl]oxolan-3-yl]methanamine is NCC1(C/C=C/Cl)CCOC1.
What is the InChIKey of [3-[(E)-3-chloroprop-2-enyl]oxolan-3-yl]methanamine?
The InChIKey is ORTRHXSWAIXQPR-DAFODLJHSA-N. The full InChI is InChI=1S/C8H14ClNO/c9-4-1-2-8(6-10)3-5-11-7-8/h1,4H,2-3,5-7,10H2/b4-1+.
What are the key properties of [3-[(E)-3-chloroprop-2-enyl]oxolan-3-yl]methanamine?
[3-[(E)-3-chloroprop-2-enyl]oxolan-3-yl]methanamine has a molecular weight of 175.66 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-3-chloroprop-2-enyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 130514917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).