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

C9H16ClNO — CID 130514946

IUPAC[3-[(E)-3-chloroprop-2-enyl]oxan-3-yl]methanamine
SMILESNCC1(C/C=C/Cl)CCCOC1
InChIInChI=1S/C9H16ClNO/c10-5-1-3-9(7-11)4-2-6-12-8-9/h1,5H,2-4,6-8,11H2/b5-1+
InChIKeyHJATUSCOVILIGM-ORCRQEGFSA-N
MW189.69 g/mol
LogP1.88
Rot. Bonds3

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

[3-[(E)-3-chloroprop-2-enyl]oxan-3-yl]methanamine (PubChem CID 130514946) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is [3-[(E)-3-chloroprop-2-enyl]oxan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(E)-3-chloroprop-2-enyl]oxan-3-yl]methanamine
PubChem CID130514946
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name[3-[(E)-3-chloroprop-2-enyl]oxan-3-yl]methanamine
SMILESNCC1(C/C=C/Cl)CCCOC1
InChIInChI=1S/C9H16ClNO/c10-5-1-3-9(7-11)4-2-6-12-8-9/h1,5H,2-4,6-8,11H2/b5-1+
InChIKeyHJATUSCOVILIGM-ORCRQEGFSA-N
XLogP1.88
TPSA35.25 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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(E)-3-chloroprop-2-enyl]oxan-4-yl]methanamine
CID 130514899
[3-[(E)-but-2-enyl]oxan-3-yl]methanamine
CID 130514959
(3-But-3-en-2-yloxan-3-yl)methanamine
CID 130514960
[4-[(E)-3-chloro-2-methylprop-2-enyl]oxan-4-yl]methanamine
CID 133665007
[4-(But-3-en-1-yl)oxan-4-yl]methanamine
CID 137699061

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-3-chloroprop-2-enyl]oxan-3-yl]methanamine?
The IUPAC name of [3-[(E)-3-chloroprop-2-enyl]oxan-3-yl]methanamine (CID 130514946) is [3-[(E)-3-chloroprop-2-enyl]oxan-3-yl]methanamine.
What is the SMILES notation for [3-[(E)-3-chloroprop-2-enyl]oxan-3-yl]methanamine?
The canonical SMILES for [3-[(E)-3-chloroprop-2-enyl]oxan-3-yl]methanamine is NCC1(C/C=C/Cl)CCCOC1.
What is the InChIKey of [3-[(E)-3-chloroprop-2-enyl]oxan-3-yl]methanamine?
The InChIKey is HJATUSCOVILIGM-ORCRQEGFSA-N. The full InChI is InChI=1S/C9H16ClNO/c10-5-1-3-9(7-11)4-2-6-12-8-9/h1,5H,2-4,6-8,11H2/b5-1+.
What are the key properties of [3-[(E)-3-chloroprop-2-enyl]oxan-3-yl]methanamine?
[3-[(E)-3-chloroprop-2-enyl]oxan-3-yl]methanamine has a molecular weight of 189.69 g/mol, XLogP of 1.88, 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]oxan-3-yl]methanamine is sourced from PubChem (CID 130514946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).